data_6dmp_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6dmp _Structure_validation_residue.Date_analyzed 2018-12-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.55 ' HG ' ' HE2' ' B' ' 97' ' ' HIS . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.55 ' HE2' ' HG ' ' A' ' 69' ' ' SER . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . 0.401 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.52 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . 0.401 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . 0.478 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' B' ' 104' ' ' ILE . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' LEU . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HD1' ' B' ' 111' ' ' HIS . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.596 ' HD1' HD23 ' A' ' 52' ' ' LEU . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' B' ' 128' ' ' LYS . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 35' ' ' ILE . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.323 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 45' ' ' MET . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -71.16 -28.22 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.48 -38.02 88.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -66.09 -40.06 90.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.84 -40.42 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.6 -45.52 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 175.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.49 -36.46 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -63.32 -42.44 99.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.75 -46.37 88.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -59.54 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.92 -51.8 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.3 -49.22 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.55 ' HG ' ' HE2' ' B' ' 97' ' ' HIS . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -59.07 -51.3 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.38 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -96.56 1.72 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.198 -177.175 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -100.73 117.11 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.06 -14.23 62.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.227 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -57.42 -26.85 61.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.55 ' HE2' ' HG ' ' A' ' 69' ' ' SER . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.417 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.37 -36.13 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 47.5 t -88.8 -57.28 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.31 -55.48 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -169.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -125.3 58.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -170.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 pm0 -69.91 -15.37 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.8 6.28 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -95.9 -146.39 20.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.3 p -141.72 36.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.246 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 85.8 mt -81.23 60.23 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 83.4 t -86.94 -41.07 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 86.6 Cg_exo -54.93 -31.37 73.45 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.704 1.603 . . . . 0.0 111.249 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.227 -175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -87.62 171.18 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.86 -42.2 79.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.91 -35.59 81.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -66.09 -38.65 88.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.8 -44.34 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.91 -31.34 72.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -64.25 -42.53 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -59.93 -42.0 93.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -68.64 -39.37 80.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -60.04 -42.36 94.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -57.54 -40.9 79.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.79 -40.68 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -69.79 -38.46 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.99 -39.2 79.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -105.58 20.57 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.232 -179.366 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -103.25 122.25 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.38 -37.49 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -65.53 -25.81 67.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . 0.401 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.52 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . 0.401 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . 0.478 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.27 -34.88 79.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.5 p -83.48 -9.85 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -102.89 -72.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -149.86 127.42 11.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -53.85 -41.41 67.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.86 -37.99 64.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -71.6 -16.57 75.96 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 97.1 p -90.62 2.35 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.25 -58.89 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.569 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.6 t -76.83 -44.85 3.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -171.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.569 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 81.5 Cg_exo -49.59 -40.44 46.1 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.66 1.573 . . . . 0.0 111.233 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 p -87.12 171.98 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.25 -34.49 77.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.18 -34.27 74.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.03 -38.02 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.21 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.88 -46.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 7' ' ' LEU . 9.7 tt -53.9 -49.5 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.81 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -72.1 -27.8 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -63.36 -41.79 98.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.53 -35.77 82.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm -56.57 -41.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.27 -65.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.1 -30.6 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -94.53 4.22 54.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -177.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.9 107.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -73.14 -21.12 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -74.86 -4.39 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -66.11 -36.8 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 83.2 p -82.97 -19.69 36.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.233 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.22 -45.83 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.228 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -152.13 98.06 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.85 -23.94 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.04 -20.38 66.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.63 -16.49 67.79 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 73.9 m -119.85 -30.1 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 111.221 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 62.7 tp -70.69 -51.28 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.554 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 74.3 t -70.13 -43.79 19.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -167.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.554 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 84.5 Cg_exo -50.72 -36.56 51.64 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.693 1.595 . . . . 0.0 111.191 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -178.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.6 p -71.85 -27.71 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.61 -33.59 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.86 -38.05 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -41.55 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.99 -43.47 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.28 -38.77 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.77 -38.77 73.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.31 -32.06 73.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -84.89 7.13 22.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.71 -14.55 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.11 -21.35 66.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.222 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.41 -47.37 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 170.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB3' HG23 ' B' ' 104' ' ' ILE . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.07 -52.12 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.1 -50.38 41.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.259 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -89.82 56.1 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.1 106.63 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -72.88 -21.21 60.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.72 -2.26 32.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' LEU . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.12 -17.73 63.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.7 p -77.31 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -118.43 -44.02 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.26 111.0 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -81.84 -34.94 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -130.68 33.72 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.67 29.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 92.1 p -100.15 -3.27 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 111.172 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.6 -42.24 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 60.4 t -63.51 -49.33 78.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 95.4 Cg_endo -78.58 -11.33 15.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.631 1.554 . . . . 0.0 111.221 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 177.771 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.89 -43.86 91.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.73 -29.08 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.74 -41.0 88.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.57 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.24 -41.91 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.36 -37.48 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.76 -39.1 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.14 -35.73 81.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -65.4 -36.06 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.5 -41.69 98.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.58 -37.08 86.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.07 -43.3 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.596 HD23 ' HD1' ' B' ' 111' ' ' HIS . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -70.49 -36.29 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -81.33 -26.59 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -101.66 17.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 -176.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' B' ' 159' ' ' GLN . 35.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -85.05 105.56 15.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -69.65 -24.39 63.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -75.71 -5.92 47.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -171.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.596 ' HD1' HD23 ' A' ' 52' ' ' LEU . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 51.8 p -69.96 -21.1 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -86.04 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -141.6 115.26 9.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . 0.426 ' HB2' ' HB ' ' B' ' 85' ' ' THR . 60.4 mm-40 -57.98 -34.04 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -66.17 -18.06 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.15 70.25 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 74.7 m -100.29 -28.08 13.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.92 -49.66 72.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.546 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 54.7 t -63.72 -51.33 66.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -169.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.546 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 76.9 Cg_endo -75.63 -18.33 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.724 1.616 . . . . 0.0 111.193 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.07 -43.7 94.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -69.32 -27.59 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.77 -41.92 78.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.46 -42.17 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.2 -41.13 83.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.57 -40.63 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.53 -33.43 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -126.83 78.06 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.85 -16.56 64.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -64.86 -13.57 56.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt -62.48 -44.82 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -71.27 -50.82 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.5 -28.59 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -108.09 18.98 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' HA ' HD13 ' B' ' 90' ' ' LEU . 35.4 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -51.61 109.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -175.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -36.09 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 77' ' ' ARG . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt -62.37 -26.25 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.4 p -83.06 -10.23 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -107.89 -68.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -148.32 134.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.199 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -55.31 -48.23 74.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.18 -40.19 84.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.88 90.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.7 p -75.11 -7.53 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.3 mt -94.97 -5.28 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.494 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 75.9 t -73.8 -44.19 6.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 41.0 Cg_endo -88.25 3.69 5.92 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.68 1.586 . . . . 0.0 111.189 -174.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 175.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -63.02 -41.94 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.59 -48.81 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -68.06 -40.1 82.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.95 -42.21 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mm -63.81 -42.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 tp -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.13 -38.65 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.58 -43.49 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.231 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.05 -38.68 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -56.8 -45.76 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.11 -42.1 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.8 -46.15 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.24 -52.0 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.19 -33.19 74.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.43 18.13 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -174.619 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -54.07 106.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -72.17 -22.56 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.72 -16.04 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp -56.4 -49.22 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 86.3 p -73.85 -29.81 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 177.9 122.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -65.9 -34.57 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.26 -33.76 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -78.59 -30.53 48.5 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.4 p -72.9 -11.82 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 96.6 mt -104.67 5.95 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.6 t -72.47 -42.27 8.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 81.9 Cg_exo -53.35 -38.25 82.13 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.739 1.626 . . . . 0.0 111.209 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.6 mtt-85 . . . . . 0 C--O 1.201 -1.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -72.64 -28.71 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -67.35 -27.19 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -75.84 -40.14 55.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -37.9 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.83 -47.86 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.71 -42.42 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.17 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.18 -45.87 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.13 -46.22 72.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.59 -47.87 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.29 -44.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' B' ' 128' ' ' LYS . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -69.37 -49.46 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.01 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -87.65 53.86 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 -170.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.204 -176.444 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.69 133.83 50.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.86 -29.05 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -68.6 -30.16 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 35' ' ' ILE . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.95 -27.69 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 92.1 p -101.36 -33.05 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -87.23 -67.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -153.55 97.68 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -65.56 -17.29 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.29 -23.42 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.13 -18.44 69.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 96.3 p -105.66 -29.08 10.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.4 -50.33 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -173.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.2 t -63.45 -42.81 76.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -167.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 93.9 Cg_exo -52.21 -35.43 63.29 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.72 1.613 . . . . 0.0 111.192 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.7 mtt-85 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.7 p -70.6 -26.15 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -64.79 -44.31 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -66.89 -36.66 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.95 -42.8 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.36 -45.62 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 176.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 41.5 tp10 -70.43 -40.06 74.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.219 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.76 -36.05 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -131.17 79.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.19 -24.2 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.23 -19.31 61.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -56.18 -36.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 45' ' ' MET . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -62.49 -48.97 77.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.13 -41.73 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.25 57.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.235 176.063 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -49.46 107.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -73.36 -19.57 60.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -76.4 -3.4 36.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' B' ' 158' ' ' GLU . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.93 -32.47 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 82.7 p -80.51 -25.66 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -105.37 -72.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.226 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 154' ' ' TYR . 88.6 tt0 -143.02 109.18 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -67.25 -16.85 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -168.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.77 -32.67 71.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -81.92 -5.89 89.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 80.9 p -88.18 0.36 56.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 111.201 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 67.3 tp -55.93 -57.65 11.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.569 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.7 t -77.39 -45.43 2.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -171.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.569 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 72.5 Cg_exo -48.74 -42.15 37.15 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.685 1.59 . . . . 0.0 111.247 177.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.1 m -63.72 -42.91 97.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.67 -37.79 79.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.67 -42.36 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.55 -38.95 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.93 -44.3 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -40.21 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.22 -34.29 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.79 -44.03 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -68.84 -34.38 75.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -59.05 -44.47 91.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.6 -38.93 89.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.21 -41.69 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.49 -47.36 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -76.45 -42.21 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.258 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -80.97 69.95 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 178.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.89 101.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -71.81 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -77.46 -2.1 33.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt -55.84 -30.23 61.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 -16.24 35.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -121.05 -44.92 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 -172.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.84 169.29 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -114.71 175.51 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.27 -22.38 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.9 70.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 91.3 p -128.83 -4.85 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.86 -38.07 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.5 t -69.17 -42.44 21.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 99.6 Cg_exo -51.81 -34.3 54.32 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.683 1.589 . . . . 0.0 111.235 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 -179.525 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' B' ' 152' ' ' ILE . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 96' ' ' ALA . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.519 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ILE . . . . . 0.4 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.479 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB3' HG13 ' B' ' 118' ' ' VAL . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 45' ' ' MET . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 155' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.323 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -71.16 -28.22 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.48 -38.02 88.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -66.09 -40.06 90.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.84 -40.42 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.6 -45.52 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 175.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.49 -36.46 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -63.32 -42.44 99.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.75 -46.37 88.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -59.54 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.92 -51.8 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.3 -49.22 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -59.07 -51.3 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.38 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -96.56 1.72 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.198 -177.175 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -100.73 117.11 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.06 -14.23 62.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.227 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -57.42 -26.85 61.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' B' ' 152' ' ' ILE . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 96' ' ' ALA . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.37 -36.13 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 47.5 t -88.8 -57.28 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.31 -55.48 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -169.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -125.3 58.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -170.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 pm0 -69.91 -15.37 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.8 6.28 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -95.9 -146.39 20.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.3 p -141.72 36.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.246 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 85.8 mt -81.23 60.23 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 83.4 t -86.94 -41.07 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 86.6 Cg_exo -54.93 -31.37 73.45 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.704 1.603 . . . . 0.0 111.249 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.227 -175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -87.62 171.18 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.86 -42.2 79.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.91 -35.59 81.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -66.09 -38.65 88.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.8 -44.34 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.91 -31.34 72.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -64.25 -42.53 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -59.93 -42.0 93.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -68.64 -39.37 80.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -60.04 -42.36 94.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -57.54 -40.9 79.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.79 -40.68 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -69.79 -38.46 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.99 -39.2 79.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -105.58 20.57 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.232 -179.366 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -103.25 122.25 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.38 -37.49 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -65.53 -25.81 67.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.519 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ILE . . . . . 0.4 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.479 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.27 -34.88 79.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.5 p -83.48 -9.85 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -102.89 -72.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -149.86 127.42 11.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -53.85 -41.41 67.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.86 -37.99 64.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -71.6 -16.57 75.96 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 97.1 p -90.62 2.35 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.25 -58.89 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.6 t -76.83 -44.85 3.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -171.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 81.5 Cg_exo -49.59 -40.44 46.1 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.66 1.573 . . . . 0.0 111.233 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 p -87.12 171.98 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.25 -34.49 77.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.18 -34.27 74.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.03 -38.02 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.21 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.88 -46.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' C ' HD23 ' A' ' 7' ' ' LEU . 9.7 tt -53.9 -49.5 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.81 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -72.1 -27.8 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -63.36 -41.79 98.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.53 -35.77 82.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm -56.57 -41.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.27 -65.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.1 -30.6 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -94.53 4.22 54.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -177.153 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.9 107.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -73.14 -21.12 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -74.86 -4.39 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -66.11 -36.8 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 83.2 p -82.97 -19.69 36.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.233 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.22 -45.83 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.228 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -152.13 98.06 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.85 -23.94 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.04 -20.38 66.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.63 -16.49 67.79 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 73.9 m -119.85 -30.1 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 111.221 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 62.7 tp -70.69 -51.28 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 74.3 t -70.13 -43.79 19.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -167.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 84.5 Cg_exo -50.72 -36.56 51.64 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.693 1.595 . . . . 0.0 111.191 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -178.785 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.6 p -71.85 -27.71 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.61 -33.59 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.86 -38.05 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -41.55 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.99 -43.47 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.28 -38.77 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.77 -38.77 73.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.31 -32.06 73.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -84.89 7.13 22.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.71 -14.55 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.11 -21.35 66.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.222 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.41 -47.37 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 170.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.07 -52.12 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.1 -50.38 41.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.259 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -89.82 56.1 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.882 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.1 106.63 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -72.88 -21.21 60.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.72 -2.26 32.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.12 -17.73 63.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.7 p -77.31 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -118.43 -44.02 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.26 111.0 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -81.84 -34.94 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -130.68 33.72 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.67 29.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 92.1 p -100.15 -3.27 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 111.172 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.6 -42.24 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.54 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 60.4 t -63.51 -49.33 78.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 95.4 Cg_endo -78.58 -11.33 15.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.631 1.554 . . . . 0.0 111.221 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 177.771 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.89 -43.86 91.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.73 -29.08 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.74 -41.0 88.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.57 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.24 -41.91 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.36 -37.48 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.76 -39.1 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.14 -35.73 81.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -65.4 -36.06 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.5 -41.69 98.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.58 -37.08 86.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.07 -43.3 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB3' HG13 ' B' ' 118' ' ' VAL . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -70.49 -36.29 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -81.33 -26.59 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -101.66 17.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 -176.785 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' B' ' 159' ' ' GLN . 35.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -85.05 105.56 15.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -69.65 -24.39 63.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -75.71 -5.92 47.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -171.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 45' ' ' MET . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 51.8 p -69.96 -21.1 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -86.04 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -141.6 115.26 9.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' GLN . . . . . 0.417 ' HB2' ' HB ' ' B' ' 85' ' ' THR . 60.4 mm-40 -57.98 -34.04 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -66.17 -18.06 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.15 70.25 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 74.7 m -100.29 -28.08 13.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.92 -49.66 72.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.579 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 54.7 t -63.72 -51.33 66.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -169.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.579 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 76.9 Cg_endo -75.63 -18.33 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.724 1.616 . . . . 0.0 111.193 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.07 -43.7 94.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -69.32 -27.59 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.77 -41.92 78.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.46 -42.17 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.2 -41.13 83.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.57 -40.63 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.53 -33.43 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -126.83 78.06 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.85 -16.56 64.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -64.86 -13.57 56.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt -62.48 -44.82 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -71.27 -50.82 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.5 -28.59 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -108.09 18.98 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -174.463 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -51.61 109.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -175.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -36.09 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt -62.37 -26.25 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.4 p -83.06 -10.23 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -107.89 -68.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -148.32 134.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.199 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -55.31 -48.23 74.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.18 -40.19 84.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.88 90.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.7 p -75.11 -7.53 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.3 mt -94.97 -5.28 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.494 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 75.9 t -73.8 -44.19 6.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 41.0 Cg_endo -88.25 3.69 5.92 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.68 1.586 . . . . 0.0 111.189 -174.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 175.877 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -63.02 -41.94 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.59 -48.81 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -68.06 -40.1 82.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.95 -42.21 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mm -63.81 -42.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 tp -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.13 -38.65 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.58 -43.49 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.231 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.05 -38.68 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -56.8 -45.76 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.11 -42.1 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.8 -46.15 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.24 -52.0 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.19 -33.19 74.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.43 18.13 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -174.619 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -54.07 106.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -72.17 -22.56 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.72 -16.04 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp -56.4 -49.22 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 86.3 p -73.85 -29.81 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 158' ' ' GLU . 58.2 tt0 -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 158' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 157' ' ' GLN . 15.3 tp10 177.9 122.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -65.9 -34.57 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.26 -33.76 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -78.59 -30.53 48.5 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.4 p -72.9 -11.82 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 96.6 mt -104.67 5.95 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.6 t -72.47 -42.27 8.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 81.9 Cg_exo -53.35 -38.25 82.13 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.739 1.626 . . . . 0.0 111.209 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 166' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.6 mtt-85 . . . . . 0 C--O 1.201 -1.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -72.64 -28.71 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -67.35 -27.19 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -75.84 -40.14 55.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -37.9 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.83 -47.86 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.71 -42.42 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.17 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.18 -45.87 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.13 -46.22 72.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.59 -47.87 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.29 -44.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -69.37 -49.46 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.01 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -87.65 53.86 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 -170.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.204 -176.444 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.69 133.83 50.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.86 -29.05 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -68.6 -30.16 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.95 -27.69 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 92.1 p -101.36 -33.05 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -87.23 -67.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -153.55 97.68 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -65.56 -17.29 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.29 -23.42 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.13 -18.44 69.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 96.3 p -105.66 -29.08 10.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.4 -50.33 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -173.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.2 t -63.45 -42.81 76.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -167.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 93.9 Cg_exo -52.21 -35.43 63.29 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.72 1.613 . . . . 0.0 111.192 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 166' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.7 mtt-85 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.7 p -70.6 -26.15 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -64.79 -44.31 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -66.89 -36.66 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.95 -42.8 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.36 -45.62 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 176.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 41.5 tp10 -70.43 -40.06 74.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.219 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.76 -36.05 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -131.17 79.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.19 -24.2 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.23 -19.31 61.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -56.18 -36.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -62.49 -48.97 77.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.13 -41.73 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.25 57.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.235 176.063 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -49.46 107.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -73.36 -19.57 60.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -76.4 -3.4 36.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' B' ' 158' ' ' GLU . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.93 -32.47 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 82.7 p -80.51 -25.66 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -105.37 -72.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.226 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 154' ' ' TYR . 88.6 tt0 -143.02 109.18 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -67.25 -16.85 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -168.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.77 -32.67 71.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -81.92 -5.89 89.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 80.9 p -88.18 0.36 56.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 111.201 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 67.3 tp -55.93 -57.65 11.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.7 t -77.39 -45.43 2.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -171.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 72.5 Cg_exo -48.74 -42.15 37.15 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.685 1.59 . . . . 0.0 111.247 177.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.458 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.1 m -63.72 -42.91 97.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.67 -37.79 79.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.67 -42.36 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.55 -38.95 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.93 -44.3 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -40.21 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.22 -34.29 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.79 -44.03 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -68.84 -34.38 75.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -59.05 -44.47 91.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.6 -38.93 89.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.21 -41.69 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.49 -47.36 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -76.45 -42.21 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.258 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -80.97 69.95 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 178.442 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.89 101.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -71.81 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -77.46 -2.1 33.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt -55.84 -30.23 61.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 -16.24 35.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -121.05 -44.92 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 -172.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.84 169.29 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -114.71 175.51 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.27 -22.38 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.9 70.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 91.3 p -128.83 -4.85 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.86 -38.07 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.5 t -69.17 -42.44 21.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 165' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 99.6 Cg_exo -51.81 -34.3 54.32 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.683 1.589 . . . . 0.0 111.235 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 -179.525 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' B' ' 152' ' ' ILE . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 96' ' ' ALA . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.519 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . 0.4 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.479 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.767 0.318 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.79 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB3' HG13 ' B' ' 118' ' ' VAL . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.337 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 45' ' ' MET . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.777 0.323 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -71.16 -28.22 64.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.48 -38.02 88.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -66.09 -40.06 90.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.84 -40.42 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.6 -45.52 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 175.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.74 -40.11 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -70.49 -36.46 73.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -63.32 -42.44 99.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.199 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -62.75 -46.37 88.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.239 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -59.54 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -49.92 -51.8 38.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.3 -49.22 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.25 -49.11 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.25 -45.09 88.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.09 -46.85 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.43 78.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -66.91 -37.16 83.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -68.02 -34.41 76.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mm -64.65 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.33 -46.21 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 ttp85 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.19 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -62.69 -39.45 94.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -63.67 -43.44 96.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.66 -36.42 73.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.51 -45.65 93.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 175.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.35 -43.68 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.6 tp -54.77 -47.79 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.189 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.73 -36.16 81.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.67 -40.13 90.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.47 -45.47 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -61.73 -47.16 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -58.67 -41.73 86.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.58 -45.4 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.86 -45.46 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -74.87 -26.68 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.35 126.73 91.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -74.04 154.74 47.65 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.66 1.573 . . . . 0.0 111.246 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.83 9.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.2 p -72.02 165.89 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -156.1 179.4 9.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.194 -174.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.34 -36.48 84.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.55 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 174.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.3 mtm -66.57 -39.7 88.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -59.11 -41.68 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -59.03 -46.0 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 176.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.92 -40.52 95.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -40.73 95.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.81 -41.69 87.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.91 -39.76 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.66 -42.85 99.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.98 -47.19 86.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.94 -45.84 91.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.8 p -67.21 -33.26 74.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -65.04 -45.41 85.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 174.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.26 -35.98 80.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -40.64 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.199 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG23 ' B' ' 104' ' ' ILE . 65.1 mt -63.94 -37.15 86.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 176.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -59.78 -52.47 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 174.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.88 -44.99 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -47.66 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 63' ' ' LEU . 10.1 tt -56.7 -47.21 80.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.09 -39.2 89.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.18 -43.98 97.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -64.21 -39.38 93.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -66.22 -40.74 90.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.6 -48.58 81.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.6 p -72.13 -29.92 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.71 98.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -68.36 -37.99 80.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.215 176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 72' ' ' LEU . 9.6 tt -54.95 -47.67 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.92 -42.34 84.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.207 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -59.07 -51.3 70.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.38 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -96.56 1.72 51.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.198 -177.175 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -100.73 117.11 34.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -69.06 -14.23 62.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.227 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -57.42 -26.85 61.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.81 -36.5 67.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.8 mt -89.64 -23.55 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.67 -36.34 78.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -68.12 -37.06 80.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.02 99.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.182 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -57.01 -47.99 79.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -54.75 -45.49 74.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.401 ' HB3' HD11 ' B' ' 152' ' ' ILE . . . -59.02 -42.09 89.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -63.38 -40.72 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.75 -37.4 87.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.48 -39.84 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.229 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.02 -41.42 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 175.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.51 -41.89 86.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.222 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.95 -39.54 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.186 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.73 -45.46 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 59' ' ' LEU . 89.9 mt -62.07 -47.19 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -50.53 -51.0 51.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.76 -44.25 93.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.59 -35.22 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.89 -36.08 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -69.28 -35.24 75.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -60.39 -43.33 96.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.1 -40.42 94.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.31 -39.76 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.86 -45.91 90.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.29 -44.21 88.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.43 -54.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.52 -44.6 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 -175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -61.62 -45.98 91.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -87.29 -70.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 72.9 p -116.96 40.43 2.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -169.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.51 69.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.6 p -81.46 -15.82 53.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.189 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.6 t -78.78 129.98 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -69.93 -33.22 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.59 -35.28 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.48 83.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.67 -39.77 89.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.17 -44.06 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.214 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.6 -48.07 83.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.87 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.48 -48.18 79.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -55.0 -46.66 75.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.219 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.06 -43.58 96.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.81 -38.98 83.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.33 -39.34 89.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.5 -40.34 96.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.63 -41.29 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -55.47 -46.01 76.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -56.6 -46.57 80.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.86 -40.83 94.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 60.3 p -67.76 -31.82 71.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -68.5 -43.03 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 174.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -62.11 -45.02 95.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 97.8 p -72.51 -30.78 64.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.52 -44.22 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -61.92 -39.92 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -39.1 93.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.16 -44.1 95.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -66.34 -30.36 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -68.98 -38.68 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' B' ' 96' ' ' ALA . 29.1 mm -58.12 -43.83 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 65.4 tp -52.13 -49.13 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -62.13 -57.77 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.37 -36.13 83.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -170.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 47.5 t -88.8 -57.28 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.241 -173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.31 -55.48 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.243 -169.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -125.3 58.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.22 -170.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 pm0 -69.91 -15.37 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.8 6.28 49.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -95.9 -146.39 20.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.3 p -141.72 36.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 111.246 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 85.8 mt -81.23 60.23 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.593 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 83.4 t -86.94 -41.07 0.54 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 86.6 Cg_exo -54.93 -31.37 73.45 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.704 1.603 . . . . 0.0 111.249 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 99.5 mtt180 . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.227 -175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -87.62 171.18 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.351 . . . . 0.0 111.182 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.86 -42.2 79.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.91 -35.59 81.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -66.09 -38.65 88.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 175.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.8 -44.34 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.91 -31.34 72.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -64.25 -42.53 96.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -59.93 -42.0 93.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -68.64 -39.37 80.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.8 ttp85 -60.04 -42.36 94.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -57.54 -40.9 79.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.79 -40.68 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.35 -46.46 93.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -56.61 -44.96 81.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.14 -45.83 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.83 92.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.3 -44.23 97.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -67.5 -42.25 83.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.08 -45.01 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -59.79 -48.17 82.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -56.13 -47.34 78.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.81 -39.07 93.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.48 -42.37 98.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -61.43 -37.16 82.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.237 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.47 -43.0 99.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.208 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.27 -44.14 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.58 -36.28 82.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -60.43 -49.88 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.211 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -61.55 -38.6 88.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 mt -57.98 -47.05 84.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.86 -47.97 79.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.42 -41.64 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.23 -175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -79.78 -44.65 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.25 -43.84 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -72.8 -26.69 61.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.195 -177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.01 121.92 54.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.66 156.3 40.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.701 1.601 . . . . 0.0 111.219 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.26 28.35 56.05 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -73.37 158.39 35.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.352 . . . . 0.0 111.176 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 t -137.72 -165.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.92 -47.35 85.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.18 -32.68 74.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.81 94.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 175.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -66.48 -32.82 74.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.34 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 172.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -63.87 -41.51 97.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.249 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.9 mtt -56.75 -52.93 63.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.212 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.1 mt -67.92 -36.51 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -58.35 -49.36 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.35 -38.65 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.27 -41.02 98.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -59.56 -49.03 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.23 -42.64 98.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.21 -178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.5 t -61.5 -44.84 96.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.9 -41.16 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.75 -43.64 97.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.9 mt -65.66 -37.83 87.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.4 tp -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.63 -38.84 89.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.3 -38.13 89.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.22 -41.04 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.204 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.38 -44.52 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.0 -42.92 95.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.21 -37.29 85.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.236 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 -45.89 90.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.43 -39.27 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.31 -40.7 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -64.25 -34.35 77.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.94 90.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 171.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -65.52 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.41 -41.3 96.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.29 -32.68 72.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -69.79 -38.46 76.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.99 -39.2 79.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.261 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -105.58 20.57 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.232 -179.366 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.801 0.334 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -103.25 122.25 44.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.38 -37.49 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -65.53 -25.81 67.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.51 -32.87 60.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 10.6 mp -73.72 -32.8 64.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.55 -39.84 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -68.81 -34.36 75.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.28 93.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.95 -43.38 95.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 172.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.05 -36.29 81.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.4 98.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -58.9 -44.26 91.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 172.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -61.24 -38.96 88.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -62.16 -44.94 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -57.65 -40.76 80.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -55.6 -42.86 75.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.76 -41.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 mm -64.23 -42.91 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.26 -44.41 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.208 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.7 -46.25 89.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.91 -37.55 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -61.81 -40.9 96.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -67.09 -34.28 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.4 HD22 HG23 ' B' ' 134' ' ' ILE . 76.4 mt -67.24 -37.64 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -58.81 -43.4 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.39 -38.17 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.46 -32.67 74.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.28 -45.96 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.67 -43.83 97.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.519 HD12 ' C ' ' B' ' 117' ' ' ILE . 2.6 pp -77.18 3.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.2 t -106.85 -49.42 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.227 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -82.32 -33.1 29.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 -171.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -104.84 -48.67 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 -174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 71.2 m -116.01 38.62 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.54 -20.56 75.64 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 91.4 p -89.13 -8.08 54.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 -177.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.6 t -83.82 128.11 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.75 -7.56 59.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.243 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -95.29 -32.68 12.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.99 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -68.06 -26.06 65.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.45 -43.66 66.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 173.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -58.0 -43.97 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 172.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.2 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -50.75 -52.74 37.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.59 -43.75 89.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . 0.4 HG23 HD22 ' B' ' 110' ' ' LEU . 87.4 mt -59.75 -44.82 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.37 -38.08 82.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -66.97 -39.2 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.54 -39.87 94.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.218 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.99 -42.58 93.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -57.16 -42.4 80.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.26 -40.65 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.66 -46.1 80.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 69.5 m -65.13 -37.68 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -59.66 -44.92 93.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.214 173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -63.05 -40.08 96.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 48.2 t -58.34 -44.76 88.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.5 -41.81 98.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.185 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.45 -47.18 82.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.27 -37.65 85.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 48.7 tp -61.7 -43.21 99.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -64.37 -41.4 96.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.57 -43.41 72.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 79.7 mt -53.28 -48.9 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.479 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.1 tt -57.7 -49.87 75.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.186 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -64.81 -34.05 77.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.27 -34.88 79.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.5 p -83.48 -9.85 58.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -102.89 -72.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -149.86 127.42 11.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -53.85 -41.41 67.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.86 -37.99 64.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -71.6 -16.57 75.96 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 97.1 p -90.62 2.35 55.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 66.4 tp -58.25 -58.89 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.6 t -76.83 -44.85 3.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -171.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 81.5 Cg_exo -49.59 -40.44 46.1 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.66 1.573 . . . . 0.0 111.233 177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.226 -179.821 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.4 p -87.12 171.98 10.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.25 -34.49 77.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -69.18 -34.27 74.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.03 -38.02 82.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.21 175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.88 -46.55 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' C ' HD23 ' A' ' 7' ' ' LEU . 9.7 tt -53.9 -49.5 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.81 -49.63 76.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -72.1 -27.8 62.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 ttp85 -63.36 -41.79 98.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.53 -35.77 82.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG23 HD22 ' A' ' 65' ' ' LEU . 31.2 mm -56.57 -41.2 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.55 -43.7 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.52 -37.66 86.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.31 -37.28 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.17 -36.43 79.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -69.15 -37.81 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.404 HG23 HD22 ' A' ' 58' ' ' LEU . 30.7 mm -63.28 -42.52 96.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -65.87 -40.19 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -57.2 -45.19 83.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -65.01 -38.88 92.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.05 -46.9 72.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -62.04 -39.95 94.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -42.96 99.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.207 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.08 -44.17 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.236 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.34 -34.73 77.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.27 -42.93 83.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.2 70.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.93 -53.43 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.31 -39.79 91.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -51.24 -50.13 59.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.95 -41.52 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.205 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.1 mt -58.71 -43.62 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -69.31 -35.47 76.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.78 120.97 46.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.28 155.3 37.08 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.701 1.6 . . . . 0.0 111.211 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.1 35.52 30.26 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.2 p -74.47 155.89 37.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.197 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.1 t -143.1 -164.91 1.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -56.04 -47.19 78.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -55.01 -47.33 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -41.28 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.7 -40.78 95.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.67 -39.36 94.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.15 -40.48 96.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.214 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.5 mtm -65.42 -39.46 92.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.19 -37.97 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.97 -42.1 94.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.14 -41.0 97.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.93 -42.29 99.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.01 -46.18 90.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.23 -40.16 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.7 t -61.76 -43.44 98.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 tp -59.18 -40.88 87.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.6 -41.16 80.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 HD22 HG23 ' A' ' 20' ' ' ILE . 93.9 mt -68.23 -35.58 78.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.01 -39.93 93.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.28 -37.5 87.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.63 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.37 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.85 -38.74 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -68.66 -37.63 79.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 HG23 ' A' ' 13' ' ' ILE . 88.1 mt -72.49 -28.39 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m -67.65 -36.42 80.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.51 -50.0 71.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -65.34 -37.62 87.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 m -64.07 -43.02 96.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.07 -39.61 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -58.73 -46.29 87.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.99 -42.76 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.27 -17.1 58.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -120.27 -65.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.201 -172.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.1 -30.6 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -94.53 4.22 54.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -177.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.9 107.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -73.14 -21.12 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -74.86 -4.39 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.69 -32.71 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 169.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -82.77 -24.72 33.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.25 -40.55 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -62.36 -42.92 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 171.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.17 83.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -58.66 -47.09 85.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.189 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -54.49 -48.96 71.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.82 84.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.23 -49.4 69.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.27 -40.66 96.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.23 -48.26 80.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.78 -42.94 98.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.86 -40.75 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.47 -35.03 75.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.19 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.93 -41.4 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 173.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.94 -43.97 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.79 -45.33 78.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.4 -43.53 98.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.52 89.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.233 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.54 -41.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -69.54 -36.45 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.95 -35.47 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -66.94 -40.64 87.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -57.5 -42.68 83.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -62.35 -45.13 94.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.184 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.05 -38.82 83.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.44 -42.17 95.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -71.55 -37.33 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.07 -47.86 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -73.29 -48.68 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -57.25 -44.66 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -75.39 -61.03 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 63.0 p -144.47 53.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.31 -18.42 67.35 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.5 p -79.34 -14.56 58.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.1 t -79.64 129.97 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.51 -32.04 70.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.237 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.9 -35.73 74.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.48 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.8 -37.76 87.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.4 -42.58 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.47 -47.77 84.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.62 78.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -56.13 -49.05 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.198 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.52 -39.8 85.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.34 -42.12 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.21 -35.42 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.197 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.97 -42.01 93.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.223 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -65.13 -42.16 94.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.91 -41.47 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -60.72 -42.07 96.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -66.43 -39.86 89.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 85.8 mt -68.83 -34.22 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 47.6 t -63.56 -46.59 85.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -59.8 -41.51 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -69.26 -42.27 75.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.234 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.28 -48.55 80.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.08 -45.15 89.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -51.85 -51.92 53.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.17 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.47 -40.38 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -62.52 -42.15 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 -43.01 96.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 66.6 tp -57.2 -49.92 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 23.0 m-30 -63.72 -37.27 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -174.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -66.11 -36.8 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 83.2 p -82.97 -19.69 36.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.233 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.22 -45.83 17.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.228 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -152.13 98.06 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -66.85 -23.94 66.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.04 -20.38 66.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.63 -16.49 67.79 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 73.9 m -119.85 -30.1 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.342 . . . . 0.0 111.221 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 62.7 tp -70.69 -51.28 28.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -176.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 74.3 t -70.13 -43.79 19.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -167.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 84.5 Cg_exo -50.72 -36.56 51.64 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.693 1.595 . . . . 0.0 111.191 178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -178.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.6 p -71.85 -27.71 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.61 -33.59 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.86 -38.05 82.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -41.55 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.99 -43.47 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.28 -38.77 74.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.77 -38.77 73.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.31 -32.06 73.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -84.89 7.13 22.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -68.71 -14.55 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 171.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.11 -21.35 66.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.222 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.41 -47.37 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 170.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.15 -44.46 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -55.14 -48.26 73.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.251 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -58.7 -45.24 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.64 -36.66 74.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.25 -38.17 87.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -67.84 -33.1 74.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -44.98 99.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.239 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -57.37 -46.27 83.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -56.73 -43.39 80.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -64.61 -38.52 91.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -60.08 -38.65 83.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 176.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -59.88 -43.07 94.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.51 -42.52 99.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.77 -45.58 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 31' ' ' LEU . 79.2 mt -62.44 -33.67 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.57 -48.03 81.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -64.36 -36.66 84.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 28' ' ' LEU . 81.2 mt -60.72 -42.03 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.216 177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.75 -42.27 86.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.7 -34.98 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.47 -45.54 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.8 pt -85.45 -11.35 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -84.52 -55.11 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.18 128.37 93.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -73.94 159.4 44.89 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.732 1.621 . . . . 0.0 111.157 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 37.88 8.8 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -75.76 164.41 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.19 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -157.54 -177.81 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 -175.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.12 -41.74 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.3 -52.33 66.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 55.6 ttp -57.5 -51.1 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.8 -37.13 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.35 -39.75 94.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.4 ttt -63.69 -42.3 98.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.3 -38.89 85.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.17 -41.69 97.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.3 -37.44 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -38.4 88.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -64.08 -46.61 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -58.36 -49.14 78.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.211 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.3 t -59.27 -45.11 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -56.8 -45.04 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.1 -39.43 94.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.16 -38.95 92.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -58.23 -53.23 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.188 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.72 -42.19 96.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.5 tp -52.86 -49.18 66.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.06 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.53 -38.41 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.46 -36.94 79.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -29.91 68.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -65.91 -43.04 89.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 171.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.71 -40.67 95.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.2 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -72.56 -27.6 62.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.39 -46.14 70.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.18 -35.7 81.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -54.43 -40.59 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.63 -62.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.07 -52.12 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -173.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -70.1 -50.38 41.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.259 -177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -89.82 56.1 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 178.882 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -83.1 106.63 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 -173.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -72.88 -21.21 60.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.72 -2.26 32.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.03 -19.59 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.181 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.91 5.17 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.51 -16.02 63.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 82.1 mm-40 -64.05 -29.65 70.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.23 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.88 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -68.05 -43.45 78.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.9 ttp85 -57.47 -53.52 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.92 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -57.46 -47.87 80.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -64.26 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -68.38 -37.71 80.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -64.15 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.6 -48.33 72.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.9 -52.23 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 32.2 mm -60.72 -45.81 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -66.61 -45.03 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.72 -47.23 70.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.03 -41.8 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.11 -40.19 92.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.31 -39.1 92.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.07 -35.74 81.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.251 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.88 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.179 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -69.96 -31.67 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -69.49 -34.09 73.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.6 -43.42 89.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 171.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.26 -38.95 93.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -54.2 -46.27 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 175.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -67.02 -46.6 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.04 -49.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.245 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -70.18 -41.34 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -57.35 -41.84 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -56.85 -50.63 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.267 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 41.6 t -170.89 136.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -99.89 7.97 59.31 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 170.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 96.4 p -106.44 -31.24 8.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.77 0.319 . . . . 0.0 111.193 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 27.5 t -57.6 120.02 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -69.93 -32.48 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.32 -36.53 74.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.193 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.95 93.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.77 -39.89 95.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.17 -45.48 92.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.92 -41.34 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.8 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.244 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -57.49 -48.09 80.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -53.98 -49.99 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.192 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 40.8 mm -64.65 -39.92 87.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.91 -40.85 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.49 -39.42 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.89 -38.95 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -43.68 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -57.14 -43.14 82.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -57.51 -51.0 71.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.249 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.56 -41.52 97.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.228 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 32.9 t -60.3 -43.01 96.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.7 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.65 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.2 p -70.15 -27.72 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 63.7 tp -65.67 -44.91 84.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -64.24 -36.72 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.56 -36.89 81.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.6 -41.89 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -60.51 -40.13 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.41 -40.25 81.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.4 -48.36 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 174.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.59 -39.11 70.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -63.28 -26.46 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.12 -17.73 63.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 64.7 p -77.31 -11.44 59.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -118.43 -44.02 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -135.26 111.0 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -81.84 -34.94 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.233 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -130.68 33.72 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -99.19 -162.67 29.57 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 92.1 p -100.15 -3.27 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 111.172 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 tp -69.6 -42.24 74.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.54 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 60.4 t -63.51 -49.33 78.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 -169.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 95.4 Cg_endo -78.58 -11.33 15.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.631 1.554 . . . . 0.0 111.221 -178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 177.771 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.578 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.89 -43.86 91.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.73 -29.08 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.195 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.74 -41.0 88.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.57 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 175.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.24 -41.91 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.36 -37.48 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.76 -39.1 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.14 -35.73 81.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -65.4 -36.06 82.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -62.5 -41.69 98.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.58 -37.08 86.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.07 -43.3 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.17 -39.54 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.05 -38.0 87.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.22 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.86 -33.39 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.6 83.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -57.34 -43.08 83.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 173.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -67.05 -42.38 84.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.6 mt -59.86 -41.43 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -56.51 -50.04 72.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -59.63 -40.99 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -72.19 -31.67 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -66.31 -37.24 84.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.49 -40.37 91.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.215 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.5 -40.94 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.08 -48.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.43 -36.43 82.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -69.59 -33.51 72.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.15 -44.44 92.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.44 -48.97 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 171.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.47 -45.34 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tp -70.08 -29.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 90.2 mt -71.2 -46.52 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -73.35 -29.19 62.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.42 118.42 50.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.07 -14.81 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.719 1.613 . . . . 0.0 111.188 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.57 7.69 61.59 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.6 p -79.41 158.73 27.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.354 . . . . 0.0 111.181 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -97.6 163.2 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.198 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.03 -49.68 76.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.83 -45.83 91.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HB3' HG13 ' B' ' 118' ' ' VAL . 95.2 mtp -63.21 -42.98 99.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.01 -33.2 75.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.3 -45.66 92.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.9 mmt -68.9 -35.93 77.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -57.99 -43.24 86.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.21 -38.89 92.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.19 -39.29 86.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.23 -48.64 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 172.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.15 -39.41 75.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.81 -35.56 78.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.0 p -69.83 -28.04 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.93 -38.13 76.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.236 173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -59.04 -43.03 91.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.59 -41.8 95.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.24 -41.37 99.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.169 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.57 -45.97 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.8 -42.79 99.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.19 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.68 -40.17 96.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -58.34 -48.54 80.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -62.96 -38.96 93.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.6 -36.95 81.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.21 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.6 p -69.81 -28.37 65.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.35 -37.55 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.51 -46.42 88.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 79.1 p -66.78 -32.89 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.197 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.31 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.78 -39.92 86.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.35 -39.55 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -60.46 -38.2 83.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.237 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -70.49 -36.29 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -81.33 -26.59 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -101.66 17.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 -176.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' B' ' 159' ' ' GLN . 35.3 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.782 0.325 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -85.05 105.56 15.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -69.65 -24.39 63.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -75.71 -5.92 47.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -171.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.67 1.08 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.504 HD12 ' C ' ' B' ' 90' ' ' LEU . 3.9 pp -59.03 -20.0 49.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 168.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.69 -29.99 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -70.45 -34.88 72.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.26 98.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -64.49 -45.13 88.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -56.43 -54.75 42.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.209 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.6 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -58.56 -46.97 85.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.89 -40.73 97.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.201 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.23 -40.2 93.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.76 -46.14 84.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.49 -44.57 89.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.63 -40.78 96.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.83 -44.13 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.36 -44.97 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -60.07 -38.61 83.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.198 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.41 -43.52 98.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.49 -36.02 82.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.234 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.51 -39.35 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -65.07 -41.81 94.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.224 176.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.42 -38.14 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.221 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.81 -45.87 88.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.214 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -54.65 -43.61 72.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.03 -39.91 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.18 -33.21 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.59 -46.15 89.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.76 -32.72 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.419 HG21 ' HB2' ' B' ' 131' ' ' ALA . 97.6 mt -77.24 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 45' ' ' MET . 66.6 t -71.29 -46.29 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -171.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -82.95 -55.23 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.228 -172.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -81.87 -61.12 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 -170.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.9 p -111.25 43.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -169.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.44 -15.54 66.11 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 84.8 p -71.25 -20.31 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 111.222 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.3 t -82.07 121.69 26.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -73.08 -31.79 64.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.01 -34.24 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.174 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.64 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 172.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.98 -41.17 91.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.78 -43.43 98.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.195 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . 0.419 ' HB2' HG21 ' B' ' 117' ' ' ILE . . . -54.71 -46.51 74.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -51.34 -52.1 48.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -57.13 -46.52 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -45.49 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.63 -35.46 80.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.39 -40.51 97.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.85 -39.84 91.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.65 -43.34 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.236 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -57.47 -44.14 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 68.9 tt0 -59.3 -49.09 79.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.32 -42.28 86.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.1 t -60.13 -46.42 89.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.2 -41.94 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -61.12 -43.12 99.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 83.3 p -69.29 -28.95 66.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 41.5 tp -69.36 -39.9 77.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.79 -34.62 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 97.6 mt -68.92 -37.27 78.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.73 -38.7 91.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -60.36 -43.07 96.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.0 -44.87 91.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.34 -43.25 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.227 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 9.8 tt -58.84 -49.44 77.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -63.64 -35.7 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.43 -35.99 80.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.207 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 51.8 p -69.96 -21.1 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -86.04 -70.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -141.6 115.26 9.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . 0.417 ' HB2' ' HB ' ' B' ' 85' ' ' THR . 60.4 mm-40 -57.98 -34.04 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.25 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -66.17 -18.06 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -66.86 -20.15 70.25 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 74.7 m -100.29 -28.08 13.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.92 -49.66 72.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.579 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 54.7 t -63.72 -51.33 66.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -169.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.579 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 76.9 Cg_endo -75.63 -18.33 17.49 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.724 1.616 . . . . 0.0 111.193 -176.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.5 m -64.07 -43.7 94.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -69.32 -27.59 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.77 -41.92 78.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.53 -40.22 95.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.46 -42.17 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.2 -41.13 83.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.57 -40.63 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.53 -33.43 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -126.83 78.06 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.234 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.85 -16.56 64.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.233 -174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -64.86 -13.57 56.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 HG22 HG13 ' A' ' 14' ' ' ILE . 97.1 mt -62.48 -44.82 99.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 13' ' ' ILE . 92.7 mt -126.34 -61.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 175.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.66 -35.4 78.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.224 -160.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -112.33 16.17 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.237 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -31.62 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.199 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 pm0 -68.31 -19.75 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -77.22 -34.31 56.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mm -73.44 -40.06 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -58.8 -42.81 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 172.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.88 -39.91 76.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -54.16 -45.14 71.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.65 -48.01 82.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.212 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.37 -41.09 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -38.62 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.218 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.05 -43.38 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.01 -34.95 79.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.94 -43.92 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -68.8 -37.0 78.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.52 -49.36 77.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -59.18 -43.32 92.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -51.16 -48.54 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.68 -44.12 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.1 mt -57.17 -41.91 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -90.28 4.94 49.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -89.02 129.07 49.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.77 152.58 53.01 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.747 1.631 . . . . 0.0 111.2 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.9 40.7 10.29 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.5 p -73.14 163.76 27.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 76.6 p -158.81 179.41 9.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -58.03 -47.85 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -55.08 -46.42 75.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.244 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.36 -42.95 88.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 76.2 mtm -64.63 -39.91 94.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.07 -38.95 93.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.67 -38.23 86.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.212 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -66.01 -37.59 86.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.51 -38.94 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.86 -40.67 97.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.21 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.6 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.11 -41.27 98.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.13 -39.2 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -69.96 -46.12 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.3 p -71.15 -29.1 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.96 -43.03 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 172.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -56.46 -41.62 76.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 174.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.29 -37.29 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.5 mt -59.37 -43.67 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.226 175.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.57 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.53 -48.05 83.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.36 -39.39 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.65 -43.74 98.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.41 -37.08 85.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.38 -39.7 89.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.4 p -69.51 -30.14 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -62.47 -42.16 99.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 172.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -68.52 -38.4 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.0 p -69.72 -27.9 65.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.63 -53.2 16.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.49 -36.19 79.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -40.83 -45.92 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.13 -36.9 8.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -71.27 -50.82 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -174.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -67.5 -28.59 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -108.09 18.98 20.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.219 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -174.463 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -51.61 109.69 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -175.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -36.09 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -63.56 -35.71 81.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -76.12 -32.6 59.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -32.28 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -71.1 -40.66 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -54.24 -31.48 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.98 -37.01 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -66.84 -40.83 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.74 -39.73 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.09 99.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -57.09 -44.12 82.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.75 -35.19 79.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.63 -41.08 93.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 171.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -62.46 -38.9 91.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.55 -40.89 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.227 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -67.46 -41.02 85.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.67 -44.0 96.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.47 -44.2 90.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -53.13 -48.87 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.32 -45.87 90.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -65.25 -40.08 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.91 -34.5 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.51 -35.26 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.221 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -65.8 -39.68 91.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -58.36 -43.83 88.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -65.28 -42.17 93.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.35 -39.4 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -45.79 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.215 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.04 -54.77 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -68.54 -44.14 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.73 -45.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -75.19 -61.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 31.1 t -149.89 80.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.99 -7.47 85.44 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 94.7 p -84.77 -22.27 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 111.198 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 20.8 t -65.21 127.66 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -69.82 -33.99 73.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.71 -35.57 72.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.85 88.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.74 -39.22 90.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.2 -45.3 95.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.219 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.98 -45.1 93.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.05 -50.59 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -67.59 -28.69 67.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.22 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.94 -47.38 80.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.23 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 85.8 mt -59.35 -41.24 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.65 -37.84 85.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -65.1 -39.92 93.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.236 174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.89 -37.65 88.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.16 -43.84 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -58.23 -40.43 81.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -56.94 -47.25 81.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.228 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.1 -39.57 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -65.02 -33.18 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.33 -38.91 78.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.26 -42.9 92.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 98.2 p -66.71 -33.04 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.41 -44.66 78.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -66.23 -36.05 82.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.194 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.33 -35.1 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.232 176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.57 -42.6 86.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -55.95 -41.39 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -55.47 -51.27 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' B' ' 155' ' ' LEU . 83.1 mt -51.78 -45.01 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.212 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 67.0 tp -60.34 -48.16 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.239 174.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -69.54 -26.63 64.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 152' ' ' ILE . 66.3 mt -62.37 -26.25 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 80.4 p -83.06 -10.23 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -107.89 -68.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -173.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -148.32 134.42 19.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.199 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 67.2 tt0 -55.31 -48.23 74.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.201 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.18 -40.19 84.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -62.66 -34.88 90.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.7 p -75.11 -7.53 54.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.3 mt -94.97 -5.28 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.494 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 75.9 t -73.8 -44.19 6.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.158 -175.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 41.0 Cg_endo -88.25 3.69 5.92 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.68 1.586 . . . . 0.0 111.189 -174.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 175.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 97.4 m -63.02 -41.94 99.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 111.213 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.59 -48.81 57.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.199 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -68.06 -40.1 82.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.95 -42.21 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mm -63.81 -42.65 96.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 tp -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.13 -38.65 91.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.58 -43.49 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.231 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -67.05 -38.68 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.217 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -56.8 -45.76 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.11 -42.1 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.8 -46.15 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mm -68.75 -44.49 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.175 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.35 -44.22 97.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.22 96.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.218 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.99 -40.81 96.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.49 -35.83 81.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 58' ' ' LEU . 88.0 mt -63.75 -44.83 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.196 175.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -58.38 -41.81 85.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.46 -48.0 83.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.5 -41.87 90.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -63.38 -43.31 97.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.2 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.83 -40.98 97.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.36 -40.41 95.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.16 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.75 -47.26 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.83 -38.55 88.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.92 -52.93 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -68.87 -37.37 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.3 tp -59.5 -46.82 87.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -55.5 -46.87 76.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -55.09 -47.66 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.32 -42.28 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -59.99 -45.54 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.218 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -78.44 -22.91 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.03 127.24 91.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.18 158.77 41.31 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.681 1.587 . . . . 0.0 111.17 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.83 27.57 37.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -65.25 137.91 57.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.15 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.0 t -136.67 -164.89 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -57.01 -45.24 83.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.08 -50.63 72.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.202 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.11 90.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.8 ttp -55.54 -50.89 68.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.228 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.44 -36.71 84.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.78 -42.6 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 74.7 mtm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.63 -38.78 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.39 -46.64 89.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.93 -39.93 93.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.02 -42.59 99.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -61.18 -48.86 79.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.47 -47.27 84.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.0 t -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -56.45 -46.64 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -61.72 -39.43 91.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' HB3' HG23 ' A' ' 20' ' ' ILE . 80.7 mt -63.62 -38.33 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' HG23 ' B' ' 104' ' ' ILE . 73.7 mt -61.52 -40.39 94.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.85 -41.53 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.41 -38.61 87.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.223 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' HG ' HG21 ' A' ' 20' ' ' ILE . 88.9 mt -61.35 -41.14 96.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.54 -41.85 98.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.06 -40.43 95.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.4 mt -66.34 -40.65 89.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.8 p -68.58 -29.75 68.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -67.88 -42.36 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 t -61.86 -46.51 89.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.73 87.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.22 -46.87 78.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.16 -60.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.24 -52.0 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.19 -33.19 74.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 -174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -106.43 18.13 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -174.619 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.762 0.315 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -54.07 106.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -72.17 -22.56 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -70.72 -16.04 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -98.22 -26.52 14.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 84.7 mt -65.38 -25.87 67.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.37 -12.28 61.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.23 -28.04 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.65 88.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -69.06 -41.44 77.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -55.98 -53.54 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.79 94.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -54.06 -49.23 69.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -66.36 -38.73 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -67.66 -38.11 83.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.169 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -64.07 -41.44 97.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.252 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.24 -43.85 83.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.04 -52.11 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.01 -42.59 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' A' ' 59' ' ' LEU . 83.0 mt -64.73 -46.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.36 -47.18 72.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.204 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.8 -42.86 98.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -65.2 -37.32 86.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -65.32 -34.34 78.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.08 -35.07 79.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -67.29 -33.62 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -65.07 -37.29 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -69.98 -40.33 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.78 -38.84 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -53.79 -48.63 69.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 174.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.3 -41.02 88.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 90.6 mt -65.62 -51.81 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.83 -25.61 18.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -93.69 -63.21 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -84.77 -42.67 14.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -168.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m -113.41 38.8 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -173.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -69.2 -18.35 73.02 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -82.47 -14.69 54.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.323 . . . . 0.0 111.196 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 28.9 t -86.66 118.44 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -71.73 -30.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -69.95 -34.55 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.96 86.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 173.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.43 -40.17 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -59.1 -45.91 89.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -46.0 76.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.59 -50.09 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -57.34 -45.35 84.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.86 -45.61 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.38 -38.26 86.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.08 -39.01 92.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.51 -42.5 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -57.6 -43.04 84.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.82 -47.86 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 46.2 t -60.0 -44.73 94.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.0 -38.73 92.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.87 -42.58 99.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.224 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 73.3 m -62.9 -41.47 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.239 175.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.87 -41.79 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -63.74 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.195 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.38 -31.7 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.28 -34.74 78.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.2 172.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -65.79 -35.64 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.36 -49.59 76.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 46.8 pt -75.54 -25.13 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.36 -52.1 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 170.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -68.33 -32.24 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.271 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 69.3 tp -56.4 -49.22 75.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 174.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 86.3 p -73.85 -29.81 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 158' ' ' GLU . 58.2 tt0 -60.64 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.199 177.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 157' ' ' GLN . 15.3 tp10 177.9 122.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -65.9 -34.57 78.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.26 -33.76 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -78.59 -30.53 48.5 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 77.4 p -72.9 -11.82 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 111.214 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 96.6 mt -104.67 5.95 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.6 t -72.47 -42.27 8.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 81.9 Cg_exo -53.35 -38.25 82.13 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.739 1.626 . . . . 0.0 111.209 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.6 mtt-85 . . . . . 0 C--O 1.201 -1.5 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -72.64 -28.71 62.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -67.35 -27.19 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 175.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -75.84 -40.14 55.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.82 -37.9 80.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.83 -47.86 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.71 -42.42 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 176.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.17 -37.45 87.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.18 -45.87 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.11 -49.14 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.1 ttp85 -54.13 -46.22 72.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -54.59 -47.87 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.29 -44.95 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.34 -45.45 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.3 -38.53 91.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -60.04 -45.72 91.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.57 81.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.258 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.16 -42.83 99.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.01 -33.53 74.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG21 ' HG ' ' A' ' 62' ' ' LEU . 97.7 mt -67.0 -41.77 87.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -55.52 -43.01 75.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -59.88 -51.09 71.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -56.07 -45.92 79.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -55.48 -50.95 68.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.17 -34.43 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.9 -41.36 97.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.79 -40.46 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.51 -38.88 91.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.68 -50.79 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -56.22 -38.64 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.95 -47.64 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -63.12 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -57.71 -43.27 85.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -72.74 -37.54 55.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.87 -48.61 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -71.13 -31.8 68.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -52.98 120.41 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.5 151.57 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.653 1.568 . . . . 0.0 111.178 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.34 40.74 32.64 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.9 p -71.87 160.17 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.6 p -136.9 179.63 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.35 -31.52 72.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.23 -35.38 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.05 88.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 171.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.81 -43.2 94.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.35 -44.19 92.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -59.81 -44.63 93.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.2 mtm -63.68 -38.49 91.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.71 -41.45 99.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.0 -40.52 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.205 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.77 -38.04 87.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.236 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.92 -41.55 98.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.226 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -61.95 -51.48 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.175 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.1 p -68.6 -29.93 68.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.193 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.2 tt -65.78 -46.12 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 173.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -60.07 -37.84 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.12 -39.2 93.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.77 -41.23 97.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.53 -44.98 93.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -61.57 -40.68 95.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' A' ' 20' ' ' ILE . 79.1 mt -59.25 -42.64 91.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.209 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -63.91 -44.0 94.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.63 -43.95 97.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.64 -41.04 96.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.1 t -61.38 -43.43 98.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.196 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -64.51 -38.49 91.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -62.3 -46.06 90.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.19 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.4 p -71.88 -28.34 63.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.72 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -70.06 -35.69 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.229 176.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -54.95 -52.38 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 172.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.02 -33.9 59.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -69.37 -49.46 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -73.01 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -87.65 53.86 2.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.166 -170.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.204 -176.444 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -67.69 133.83 50.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.86 -29.05 68.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -68.6 -30.16 68.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.54 -31.17 66.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.55 -30.53 66.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.04 -38.67 91.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 170.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.71 -33.25 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 174.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -57.09 -49.11 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -56.5 -45.27 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.14 -45.63 79.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -57.91 -49.0 78.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -59.16 -40.47 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -66.92 -44.61 80.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.01 -40.09 79.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.31 -42.42 86.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.203 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.24 -37.91 81.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.34 -45.29 86.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.26 -47.17 90.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -50.93 -53.24 34.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.08 -48.89 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.8 -41.61 87.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -65.36 -40.39 93.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.9 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 89.3 mt -67.32 -34.85 78.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.84 -35.73 79.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.7 -37.38 87.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -69.35 -40.88 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.58 -38.29 86.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -57.61 -47.46 82.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 174.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.46 -44.09 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.33 -53.18 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 74.8 t -68.08 -43.66 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -175.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.76 -44.6 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -86.62 -68.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 73.3 p -115.13 40.3 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -171.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.71 -18.35 70.12 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.7 p -81.78 -14.67 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 111.202 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 19.4 t -80.69 129.62 34.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.1 -38.36 85.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.07 95.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -66.06 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.24 -42.5 99.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -69.15 -34.43 74.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.31 97.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.199 174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.47 -45.64 84.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.229 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.81 -42.7 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.85 -43.27 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.4 -34.23 76.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.89 -40.78 96.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.09 -43.87 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.18 -41.86 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 41.2 ttm105 -54.86 -47.24 74.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.24 -32.54 74.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.87 -38.43 86.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 55.0 p -69.38 -29.52 67.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.85 -44.36 90.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -66.28 -46.28 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 94.9 p -66.44 -29.66 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 52.7 tp -69.29 -44.47 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.241 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -68.08 -35.16 77.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.21 -37.61 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 173.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.68 -43.91 90.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -63.5 -41.55 98.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -59.84 -55.1 38.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.77 -26.45 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.213 -175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.12 -54.77 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -62.75 -36.44 83.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -172.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.95 -27.69 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 -174.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 92.1 p -101.36 -33.05 10.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -87.23 -67.95 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.222 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -153.55 97.68 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.5 pm0 -65.56 -17.29 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.29 -23.42 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.13 -18.44 69.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 96.3 p -105.66 -29.08 10.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.4 -50.33 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -173.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.549 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.2 t -63.45 -42.81 76.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -167.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 93.9 Cg_exo -52.21 -35.43 63.29 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.72 1.613 . . . . 0.0 111.192 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' B' ' 165' ' ' PRO . 96.7 mtt-85 . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.186 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.7 p -70.6 -26.15 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -64.79 -44.31 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.221 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -66.89 -36.66 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.95 -42.8 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.36 -45.62 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 176.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.42 -29.22 68.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 41.5 tp10 -70.43 -40.06 74.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.219 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.76 -36.05 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -131.17 79.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.19 -24.2 67.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -61.23 -19.31 61.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -56.18 -36.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.4 pt -118.38 -15.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.72 -27.87 25.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 mmm-85 -112.96 41.74 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.55 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -64.75 -19.83 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 177.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.96 -35.49 72.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -68.31 -41.77 83.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -58.25 -41.27 83.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -59.53 -46.89 87.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.86 -44.12 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.02 -44.35 92.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -66.23 -37.03 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.7 -40.09 95.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.0 mt -61.82 -45.52 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.81 -34.73 78.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.72 -52.83 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.22 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -67.22 -35.25 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.65 -51.32 70.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -56.24 -46.95 79.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -49.11 -50.12 38.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.58 -41.69 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.7 mt -59.46 -46.18 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -78.64 -23.46 45.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.41 124.62 81.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.63 154.71 39.77 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.663 1.576 . . . . 0.0 111.232 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.2 41.2 12.24 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.3 p -73.98 154.71 39.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.299 . . . . 0.0 111.257 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -145.68 -165.91 2.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.32 -49.17 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -55.37 -46.74 76.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.41 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.1 mtm -64.6 -39.61 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.189 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.59 -39.08 93.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.96 -40.63 87.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.09 -40.74 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.77 -37.72 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.75 -47.28 87.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -41.7 98.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.204 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.93 -42.87 99.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.69 -49.25 78.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.17 -47.1 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -62.24 -45.37 93.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 56' ' ' LEU . 10.3 tt -57.61 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -60.62 -39.09 86.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.27 -38.07 89.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' B' ' 104' ' ' ILE . 69.9 mt -62.29 -42.34 99.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -59.31 -44.86 92.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.64 -48.91 76.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.235 175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -59.5 -44.26 93.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 63' ' ' LEU . 10.1 tt -58.47 -47.86 82.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.197 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.4 -33.9 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.8 m -63.01 -40.6 98.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -68.86 -45.33 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.36 -40.72 96.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -63.98 -43.99 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.32 -43.11 83.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.248 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -65.78 -43.14 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 72' ' ' LEU . 10.3 tt -57.35 -52.15 66.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.35 -31.42 68.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -62.49 -48.97 77.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.13 -41.73 73.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -89.25 57.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.235 176.063 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -49.46 107.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.251 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -73.36 -19.57 60.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -76.4 -3.4 36.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.68 -26.8 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.57 -17.43 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.63 -35.16 76.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 166.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -69.21 -34.67 75.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 171.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.68 95.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.7 -48.34 79.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttp85 -56.5 -43.31 79.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.4 -38.59 80.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -66.65 -38.96 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.74 -47.14 86.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.33 -45.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.73 -46.59 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -60.66 -41.47 95.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -67.9 -35.74 78.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.51 -44.33 98.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 59' ' ' LEU . 92.1 mt -61.05 -43.76 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -55.38 -46.47 76.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.01 -47.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.33 -40.33 85.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -64.91 -39.02 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.28 -34.18 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.248 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.43 -36.01 80.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.56 -38.64 90.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 174.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -58.18 -43.13 87.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -66.33 -39.28 89.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.6 -37.89 85.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.216 176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.54 -40.7 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.7 -42.83 99.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.32 -47.97 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 55.5 t -66.01 -42.3 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -87.76 -64.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -75.77 -43.09 48.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 -168.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 69.2 m -114.62 38.16 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.38 -20.71 73.73 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -83.43 -12.67 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 30.0 t -90.12 116.94 28.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.08 -29.45 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 177.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.87 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.253 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.48 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.16 -37.6 87.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.35 -41.88 98.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -58.81 -46.05 88.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.85 -45.31 74.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.0 -50.02 65.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.36 -40.15 93.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.04 -44.71 99.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.56 -38.27 86.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.59 -41.96 99.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.71 -45.57 92.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.38 -43.63 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.91 -38.73 91.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -66.94 -34.07 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.74 -39.02 90.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.7 p -68.78 -29.6 68.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.29 -43.84 93.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.32 -38.82 88.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -58.47 -42.84 88.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.89 -37.41 87.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.0 -41.77 98.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.49 -38.29 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 62.5 tp -58.6 -49.58 76.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.04 -45.49 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -52.2 -50.97 60.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.41 -44.77 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.1 -40.25 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' B' ' 158' ' ' GLU . 31.1 m-85 -69.58 -38.53 77.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.93 -32.47 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 82.7 p -80.51 -25.66 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -105.37 -72.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.226 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' B' ' 154' ' ' TYR . 88.6 tt0 -143.02 109.18 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 19.7 pm0 -67.25 -16.85 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 -168.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.77 -32.67 71.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -81.92 -5.89 89.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 80.9 p -88.18 0.36 56.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.799 0.333 . . . . 0.0 111.201 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 67.3 tp -55.93 -57.65 11.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' B' ' 165' ' ' PRO . 73.7 t -77.39 -45.43 2.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -171.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' B' ' 164' ' ' VAL . 72.5 Cg_exo -48.74 -42.15 37.15 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.685 1.59 . . . . 0.0 111.247 177.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.1 m -63.72 -42.91 97.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.67 -37.79 79.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.67 -42.36 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.55 -38.95 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.93 -44.3 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -40.21 93.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -70.22 -34.29 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.79 -44.03 97.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.22 173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -68.84 -34.38 75.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -59.05 -44.47 91.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.6 -38.93 89.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.181 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.21 -41.69 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.99 -43.76 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.238 174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.14 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -59.25 -42.94 92.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 173.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 175.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.97 -36.94 86.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.96 -34.31 77.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.82 -43.03 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -62.71 -41.2 99.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.5 -50.26 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -65.94 -40.95 91.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -55.32 -49.74 71.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.17 -35.27 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.9 -43.34 98.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 51' ' ' LEU . 93.9 mt -65.36 -43.23 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.69 -38.94 82.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.5 -45.62 93.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.191 174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -67.02 -35.05 79.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.42 -45.63 92.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -66.31 -38.79 88.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 173.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -55.91 -45.53 78.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.92 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.44 -44.27 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.232 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -69.84 -34.19 73.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.66 123.89 76.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -75.25 155.16 41.74 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.705 1.603 . . . . 0.0 111.196 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.82 37.23 23.36 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -74.16 154.97 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.7 t -163.04 -157.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.33 -48.11 77.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -55.26 -48.12 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.199 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.38 -41.48 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.87 -42.08 95.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.219 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.59 -37.57 88.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.81 -40.69 98.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.3 mtp -65.05 -41.86 94.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.96 -38.9 90.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.193 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.5 -42.88 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 27' ' ' ILE . 71.6 mt -61.97 -41.44 98.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.16 -43.38 98.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.78 -47.42 84.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.41 -51.6 66.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.8 p -67.41 -32.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.214 -176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.0 tp -69.99 -43.29 71.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -62.75 -42.05 99.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -67.34 -35.33 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.192 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 tp -66.93 -39.99 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.76 -50.78 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -43.65 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -46.77 -53.54 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.227 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.8 -44.77 90.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.26 -38.41 89.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.224 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.73 -42.56 86.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.174 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -71.17 -27.46 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -61.08 -49.98 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -60.49 -50.57 73.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.5 m -62.0 -39.83 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.8 90.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -65.48 -43.79 89.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.218 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.4 tm? -65.27 -53.14 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.1 -31.89 72.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -52.49 -47.36 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 174.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -76.45 -42.21 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.258 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -80.97 69.95 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 178.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.89 101.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -71.81 -20.85 61.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtm180 -77.46 -2.1 33.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.61 -27.07 67.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' B' ' 90' ' ' LEU . 3.7 mm? -64.23 -18.85 64.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.217 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -67.19 -18.42 65.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.86 -22.71 64.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.17 97.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -64.26 -47.48 79.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 173.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.42 -41.26 96.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.85 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -57.66 -44.2 85.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -60.13 -39.54 86.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.39 -40.8 93.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.1 -35.92 81.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.5 -44.46 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.232 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -70.62 -40.32 73.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.31 -49.78 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.93 -44.18 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -49.05 -51.06 33.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.55 -44.27 97.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.92 92.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.185 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.02 -44.7 94.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.6 -34.04 77.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.4 -38.73 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -65.74 -38.23 88.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.209 174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.92 -38.82 89.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 176.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -65.15 -39.68 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 80.3 mt -59.22 -44.44 92.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.83 -44.03 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 176.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.96 -52.97 63.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.265 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.1 pt -76.31 -27.74 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 -170.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.73 -50.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.248 176.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -57.26 -41.21 79.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.56 -58.0 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 47.0 t -172.53 63.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -66.1 -15.91 63.63 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.4 p -68.25 -20.47 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' SER . . . . . . . . . . . . . 18.7 t -64.7 133.44 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.74 -32.46 73.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 -177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.85 -36.43 70.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.0 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.73 -41.07 99.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.18 -46.75 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -45.88 92.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.196 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.34 85.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -58.17 -44.82 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.47 -47.78 84.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.72 -43.1 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.73 -41.77 82.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.01 -38.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.46 -38.79 85.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.88 -43.18 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -54.85 -44.2 73.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -56.79 -52.25 65.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.171 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.18 -38.85 87.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.9 t -60.35 -43.98 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.64 -38.27 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -61.52 -47.94 83.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 28.5 t -64.39 -42.27 96.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.155 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' LEU . . . . . . . . . . . . . 59.2 tp -54.83 -42.33 71.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -66.27 -37.86 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.04 -32.82 74.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.22 -41.93 94.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -57.74 -46.1 84.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.54 -46.99 88.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' ILE . . . . . . . . . . . . . 86.4 mt -56.36 -44.39 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' LEU . . . . . 0.418 ' C ' HD23 ' B' ' 153' ' ' LEU . 10.4 tt -63.79 -47.1 82.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.178 176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -60.38 -32.27 71.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 83.4 mt -55.84 -30.23 61.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.225 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 -16.24 35.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -121.05 -44.92 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.211 -172.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.84 169.29 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -114.71 175.51 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -59.27 -22.38 61.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -67.44 -18.9 70.22 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 91.3 p -128.83 -4.85 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 111.222 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.86 -38.07 9.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' B' ' 165' ' ' PRO . 53.5 t -69.17 -42.44 21.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 -176.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' B' ' 164' ' ' VAL . 99.6 Cg_exo -51.81 -34.3 54.32 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.683 1.589 . . . . 0.0 111.235 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 -179.525 . . . . . . . . 0 0 . 1 stop_ save_