data_1q0w_residue 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 1q0w _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 259' ' ' GLU . . . . . 0.472 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 40.0 tp10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.683 0.278 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.592 ' HA ' ' HD3' ' A' ' 265' ' ' LYS . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG12 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.427 ' HB1' ' HD1' ' B' ' 68' ' ' HIS . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 263' ' ' ILE . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.696 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 40.2 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.696 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 88.1 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.419 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.672 HD12 HD23 ' B' ' 56' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.498 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.505 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.519 HG22 ' HD2' ' B' ' 37' ' ' PRO . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' B' ' 36' ' ' ILE . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.525 HD12 HD12 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.7 HG12 ' HG3' ' B' ' 49' ' ' GLN . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.494 ' N ' HD22 ' A' ' 271' ' ' LEU . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.7 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.421 HD11 ' N ' ' B' ' 50' ' ' LEU . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.672 HD23 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 3.5 mm100 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.582 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.525 HD12 HD12 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.427 ' HD1' ' HB1' ' A' ' 266' ' ' ALA . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.523 HD22 HD23 ' B' ' 43' ' ' LEU . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.947 HG12 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 71' ' ' LEU . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' B' ' 72' ' ' ARG . 34.9 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.747 0.308 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.498 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.482 HD22 HG12 ' B' ' 70' ' ' VAL . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.941 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.808 HD11 HG21 ' B' ' 44' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.615 HG12 HG23 ' B' ' 17' ' ' VAL . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.437 HG22 ' N ' ' B' ' 15' ' ' LEU . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.615 HG23 HG12 ' B' ' 3' ' ' ILE . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.49 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.646 ' H ' HD21 ' B' ' 25' ' ' ASN . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.51 HD13 HD21 ' B' ' 56' ' ' LEU . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.646 HD21 ' H ' ' B' ' 22' ' ' THR . 74.5 m-80 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.543 ' O ' HG13 ' B' ' 30' ' ' ILE . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.763 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.739 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.3 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG21 ' HD2' ' B' ' 37' ' ' PRO . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.571 ' HA ' HE21 ' B' ' 31' ' ' GLN . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.763 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.0 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.703 ' HG3' ' HZ3' ' B' ' 27' ' ' LYS . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.681 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 267' ' ' ILE . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.689 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.596 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.689 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD21 HD13 ' B' ' 23' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' B' ' 67' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.941 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.559 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.784 HG13 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.475 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.547 ' O ' HG23 ' B' ' 3' ' ' ILE . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.547 HG23 ' O ' ' B' ' 2' ' ' GLN . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' B' ' 12' ' ' THR . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.584 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.48 HD23 HG11 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.48 HG11 HD23 ' B' ' 15' ' ' LEU . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.624 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.539 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.478 HD13 HG22 ' B' ' 23' ' ' ILE . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.3 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' B' ' 41' ' ' GLN . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.403 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.821 ' HB2' HD13 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.625 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.611 HD22 HD11 ' B' ' 69' ' ' LEU . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.688 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.406 ' N ' HG23 ' B' ' 44' ' ' ILE . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.539 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' B' ' 65' ' ' SER . 26.1 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.625 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.526 HD23 HG13 ' B' ' 70' ' ' VAL . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.901 HG13 HG12 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.573 HG21 ' HA2' ' B' ' 47' ' ' GLY . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 3.3 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.49 HG21 ' HB3' ' B' ' 69' ' ' LEU . 29.6 p . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.442 HG23 ' N ' ' B' ' 14' ' ' THR . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.442 ' N ' HG23 ' B' ' 13' ' ' ILE . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.572 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.419 HG11 ' O ' ' B' ' 16' ' ' GLU . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.479 HD13 HD21 ' B' ' 56' ' ' LEU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' B' ' 30' ' ' ILE . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.593 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.572 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.444 ' CG ' HD13 ' B' ' 36' ' ' ILE . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 ' CG ' ' B' ' 34' ' ' GLU . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.545 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 8.3 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.729 HD11 HG22 ' A' ' 263' ' ' ILE . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.573 ' HA2' HG21 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.624 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD21 HD13 ' B' ' 23' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.699 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.699 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' B' ' 67' ' ' LEU . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.583 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.49 ' HB3' HG21 ' B' ' 7' ' ' THR . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.901 HG12 HG13 ' A' ' 263' ' ' ILE . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 72' ' ' ARG . 52.7 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.444 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.572 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.59 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.575 ' HB2' ' HD2' ' B' ' 68' ' ' HIS . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.638 ' H2 ' ' HE1' ' B' ' 1' ' ' MET . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.489 ' O ' HG22 ' B' ' 3' ' ' ILE . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.489 HG22 ' O ' ' B' ' 2' ' ' GLN . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.424 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 68.6 p . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 6' ' ' LYS . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 HG22 ' B' ' 13' ' ' ILE . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.556 ' O ' HG11 ' B' ' 17' ' ' VAL . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.665 ' HA ' ' HZ1' ' B' ' 29' ' ' LYS . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.556 HD13 HD23 ' B' ' 56' ' ' LEU . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HE3' ' CD1' ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.665 ' HZ1' ' HA ' ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' B' ' 41' ' ' GLN . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.562 HG21 ' HD2' ' B' ' 37' ' ' PRO . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.562 ' HD2' HG21 ' B' ' 36' ' ' ILE . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.2 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HB2' HD13 ' B' ' 69' ' ' LEU . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.56 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.622 HD22 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.602 HD11 HE21 ' B' ' 49' ' ' GLN . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.602 HE21 HD11 ' B' ' 44' ' ' ILE . 14.5 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.556 HD23 HD13 ' B' ' 23' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.587 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.622 HD23 HD22 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HD2' ' HB2' ' A' ' 270' ' ' SER . 91.0 m-70 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 41' ' ' GLN . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.918 HG23 ' HA ' ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.411 ' N ' HD23 ' B' ' 71' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.459 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.707 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.719 ' HA ' HG23 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 272' ' ' LYS . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.67 HD12 HG11 ' B' ' 17' ' ' VAL . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.595 ' HB3' ' HZ2' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 59.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.67 HG11 HD12 ' B' ' 3' ' ' ILE . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.427 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.419 HD12 HG23 ' B' ' 23' ' ' ILE . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.474 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.474 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.481 HG23 HD22 ' B' ' 71' ' ' LEU . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.481 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.768 HD23 HD12 ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.495 HG21 ' N ' ' B' ' 45' ' ' PHE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.495 ' N ' HG21 ' B' ' 44' ' ' ILE . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.707 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.543 HD21 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.543 HD12 HD21 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.654 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.768 HD12 HD23 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.412 ' HD2' ' OG ' ' A' ' 270' ' ' SER . 91.1 m-70 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 263' ' ' ILE . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.813 HG13 HG12 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.564 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 67' ' ' LEU . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.399 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.606 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.597 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.447 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.555 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.523 HD13 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.694 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.579 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.678 HD13 HG12 ' B' ' 26' ' ' VAL . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.542 HG21 ' HD2' ' B' ' 37' ' ' PRO . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.542 ' HD2' HG21 ' B' ' 36' ' ' ILE . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' B' ' 50' ' ' LEU . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.472 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.564 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 267' ' ' ILE . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.523 HD13 HD13 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.413 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.46 HD12 HD23 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.57 HD13 HD11 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.643 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.0 m-70 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.813 HG12 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.935 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.448 ' HB3' ' CG ' ' B' ' 68' ' ' HIS . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.687 HD13 HG22 ' B' ' 44' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.573 HD22 ' HA3' ' B' ' 47' ' ' GLY . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.43 ' HB3' ' HE3' ' B' ' 1' ' ' MET . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.709 HE21 ' HG2' ' B' ' 64' ' ' GLU . 19.4 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 HD12 ' B' ' 67' ' ' LEU . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.579 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HG12 ' B' ' 17' ' ' VAL . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.542 HG11 HD12 ' B' ' 3' ' ' ILE . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.496 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.686 HG12 HD12 ' B' ' 30' ' ' ILE . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' B' ' 17' ' ' VAL . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.686 HD12 HG12 ' B' ' 26' ' ' VAL . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' B' ' 13' ' ' ILE . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' B' ' 37' ' ' PRO . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' B' ' 36' ' ' ILE . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.815 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.729 ' HG3' ' HZ3' ' B' ' 27' ' ' LYS . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.571 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 267' ' ' ILE . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.409 ' N ' HG23 ' B' ' 44' ' ' ILE . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.573 ' HA3' HD22 ' A' ' 271' ' ' LEU . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.561 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.4 mm100 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.496 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.431 HD12 HG22 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.709 ' HG2' HE21 ' B' ' 2' ' ' GLN . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.627 HD12 HD11 ' B' ' 3' ' ' ILE . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.651 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.935 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 265' ' ' LYS . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.956 HG13 HG12 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.439 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.627 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.615 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.542 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.45 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 82.2 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.45 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 56.7 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.458 HG21 ' N ' ' B' ' 14' ' ' THR . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.458 ' N ' HG21 ' B' ' 13' ' ' ILE . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.463 HD11 ' C ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.615 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 16' ' ' GLU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.509 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 54.5 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.562 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD2' HG22 ' B' ' 36' ' ' ILE . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.786 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.492 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.596 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.465 ' N ' HG21 ' B' ' 44' ' ' ILE . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.627 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.528 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' B' ' 56' ' ' LEU . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' B' ' 41' ' ' GLN . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.956 HG12 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.416 HD21 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HD3' ' HE ' ' B' ' 42' ' ' ARG . 35.0 tpt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.533 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.941 HG13 HG13 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HD2' ' OE1' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.464 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.521 HE22 ' NZ ' ' B' ' 63' ' ' LYS . 3.1 pm0 -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HG3' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 43.1 p . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.544 HG22 ' HZ1' ' B' ' 33' ' ' LYS . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.63 HD11 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.63 HG13 HD11 ' B' ' 15' ' ' LEU . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.462 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.834 HD11 HD22 ' B' ' 56' ' ' LEU . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.476 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' B' ' 30' ' ' ILE . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.735 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.544 ' HZ1' HG22 ' B' ' 13' ' ' ILE . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.423 ' OE2' HD11 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.413 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' B' ' 38' ' ' PRO . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.66 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.424 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.546 HD13 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.476 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.525 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 23' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.521 ' NZ ' HE22 ' B' ' 2' ' ' GLN . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.447 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.941 HG13 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.481 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 262' ' ' LEU . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.913 HG13 HG12 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.623 HD12 HG21 ' B' ' 44' ' ' ILE . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.414 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 3' ' ' ILE . 3.1 mm100 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.513 HG22 ' O ' ' B' ' 2' ' ' GLN . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.675 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 tttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.5 HG21 ' N ' ' B' ' 14' ' ' THR . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.5 ' N ' HG21 ' B' ' 13' ' ' ILE . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.535 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.578 HG12 HG11 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' HG21 ' B' ' 55' ' ' THR . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.625 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.525 HD22 ' HE2' ' B' ' 29' ' ' LYS . 42.8 t30 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.578 HG11 HG12 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' B' ' 25' ' ' ASN . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.0 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.407 ' HA ' HE21 ' B' ' 31' ' ' GLN . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.846 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.425 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.711 HG12 ' HG3' ' B' ' 49' ' ' GLN . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.711 ' HG3' HG12 ' B' ' 44' ' ' ILE . 14.2 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.452 HD11 ' H ' ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HG2' ' H ' ' B' ' 52' ' ' ASP . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.625 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.432 HG21 ' O ' ' B' ' 20' ' ' SER . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HD13 ' B' ' 23' ' ' ILE . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.913 HG12 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.599 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.712 0.291 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.418 ' HG ' HG11 ' B' ' 70' ' ' VAL . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.834 ' HA ' HG23 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.826 HD12 HG23 ' B' ' 44' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.775 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.501 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.415 HG23 ' N ' ' B' ' 14' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.415 ' N ' HG23 ' B' ' 13' ' ' ILE . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.423 HD13 ' C ' ' B' ' 15' ' ' LEU . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.56 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.563 HD22 ' HE2' ' B' ' 29' ' ' LYS . 49.2 t30 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 30' ' ' ILE . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.552 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.7 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.465 HD13 HG21 ' B' ' 36' ' ' ILE . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.548 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 3.4 mm100 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.717 ' HB2' HD12 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.826 HG23 HD12 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.478 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 43' ' ' LEU . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.678 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.678 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.525 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.478 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 89.9 m-70 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.834 HG23 ' HA ' ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.927 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.666 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.666 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.421 ' HA ' ' HD2' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.43 ' HA ' HD21 ' A' ' 269' ' ' LEU . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.447 HG12 HG22 ' B' ' 17' ' ' VAL . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.404 ' HG1' ' H ' ' B' ' 11' ' ' LYS . 79.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.404 ' H ' ' HG1' ' B' ' 7' ' ' THR . 23.9 ttmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.597 HD13 ' HZ2' ' B' ' 29' ' ' LYS . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.447 HG22 HG12 ' B' ' 3' ' ' ILE . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.4 ' O ' HG21 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.452 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.472 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.491 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' B' ' 41' ' ' GLN . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.681 HE21 ' HB2' ' B' ' 71' ' ' LEU . 41.8 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.454 HG21 ' N ' ' B' ' 45' ' ' PHE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.454 ' N ' HG21 ' B' ' 44' ' ' ILE . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 50' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.551 ' O ' HG22 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.557 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.482 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.927 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.681 ' HB2' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.437 ' HA ' HD11 ' A' ' 262' ' ' LEU . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.987 ' HA ' HG22 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.639 ' HZ1' ' HB2' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.616 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.494 HG21 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.495 HD23 HG12 ' B' ' 30' ' ' ILE . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.616 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.523 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' B' ' 30' ' ' ILE . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.584 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.496 HD13 ' HB1' ' A' ' 266' ' ' ALA . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 267' ' ' ILE . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.472 HD22 ' O ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' ' HE2' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.544 HD22 HD12 ' B' ' 71' ' ' LEU . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.544 HD12 HD22 ' B' ' 69' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 265' ' ' LYS . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.962 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.675 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.675 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' B' ' 44' ' ' ILE . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.404 ' HA ' HD22 ' A' ' 269' ' ' LEU . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 3' ' ' ILE . 26.3 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 HG22 ' B' ' 17' ' ' VAL . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.425 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.894 0.378 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' B' ' 6' ' ' LYS . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.405 HD13 HG23 ' B' ' 13' ' ' ILE . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.533 HD12 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.609 ' O ' HG13 ' B' ' 17' ' ' VAL . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.609 HG13 ' O ' ' B' ' 16' ' ' GLU . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.552 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.605 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' B' ' 30' ' ' ILE . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.614 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.515 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.486 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.508 HE21 ' HB2' ' B' ' 65' ' ' SER . 3.4 pm0 -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.508 ' HB2' HE21 ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 67' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.697 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.594 HD21 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.962 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.506 HD21 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.425 ' OE1' HD12 ' A' ' 263' ' ' ILE . 3.9 tm-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 264' ' ' ARG . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.69 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 1.001 ' HA ' HG22 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.69 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.63 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 263' ' ' ILE . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.503 ' HG ' ' H ' ' B' ' 47' ' ' GLY . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' B' ' 47' ' ' GLY . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.445 ' HE2' ' HB3' ' B' ' 1' ' ' MET . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.755 HD11 HD21 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 77.1 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 17' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.5 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.493 ' O ' HG13 ' B' ' 30' ' ' ILE . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.499 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.444 ' OE1' HD21 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 263' ' ' ILE . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.585 HD12 HG22 ' A' ' 263' ' ' ILE . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.46 ' N ' ' HG ' ' A' ' 270' ' ' SER . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' B' ' 61' ' ' ILE . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' B' ' 56' ' ' LEU . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.755 HD21 HD11 ' B' ' 3' ' ' ILE . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.444 HD21 ' OE1' ' B' ' 41' ' ' GLN . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 1.001 HG22 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.526 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.586 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.756 0.312 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.871 HG13 HG13 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.408 ' HB3' ' CG ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.504 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.491 HD11 HD11 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 15' ' ' LEU . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.435 ' N ' HG23 ' B' ' 14' ' ' THR . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.66 HG12 HG12 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.426 ' HG ' ' HB3' ' B' ' 57' ' ' SER . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.661 HD13 HD22 ' B' ' 56' ' ' LEU . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.58 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 3.1 m120 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.66 HG12 HG12 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.673 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.661 HG21 HD21 ' B' ' 71' ' ' LEU . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.548 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.676 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.853 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD12 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 271' ' ' LEU . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.495 ' NZ ' ' HB2' ' B' ' 46' ' ' ALA . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.853 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.58 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.603 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.661 HD22 HD13 ' B' ' 23' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.426 ' HB3' ' HG ' ' B' ' 19' ' ' SER . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.409 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.631 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.631 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 266' ' ' ALA . 91.5 m-70 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.871 HG13 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.661 HD21 HG21 ' B' ' 36' ' ' ILE . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.586 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.633 0.254 . . . . 0.0 111.49 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 262' ' ' LEU . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.862 HG13 HG12 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 263' ' ' ILE . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.445 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.44 HD22 ' O ' ' B' ' 46' ' ' ALA . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.401 ' O ' HG21 ' B' ' 3' ' ' ILE . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.567 HD12 HG21 ' B' ' 17' ' ' VAL . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' B' ' 66' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.443 ' HG3' ' HG1' ' B' ' 12' ' ' THR . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.578 HG21 ' HE2' ' B' ' 11' ' ' LYS . 78.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.578 ' HE2' HG21 ' B' ' 7' ' ' THR . 38.8 ttpt . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.567 HD13 ' HZ3' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.589 ' O ' HG12 ' B' ' 17' ' ' VAL . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 16' ' ' GLU . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.466 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.589 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.627 HG11 HD22 ' B' ' 15' ' ' LEU . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.597 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.485 HG12 HD21 ' B' ' 15' ' ' LEU . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.567 ' HZ3' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.545 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' B' ' 36' ' ' ILE . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.597 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 70.4 tp60 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.545 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.602 ' HE ' HD11 ' A' ' 263' ' ' ILE . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' B' ' 49' ' ' GLN . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.44 ' O ' HD22 ' A' ' 271' ' ' LEU . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.411 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.589 ' O ' HG13 ' B' ' 23' ' ' ILE . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.627 HD23 HD13 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.627 HD13 HD23 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.579 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.534 HD11 HD11 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.438 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.862 HG12 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.49 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.931 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.648 HG22 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.489 ' O ' HG22 ' B' ' 3' ' ' ILE . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.65 HD12 HG23 ' B' ' 17' ' ' VAL . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.447 HG21 ' N ' ' B' ' 15' ' ' LEU . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.659 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.654 HG13 HD11 ' B' ' 15' ' ' LEU . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.528 ' HG ' ' HB3' ' B' ' 57' ' ' SER . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.721 HG11 HD13 ' B' ' 30' ' ' ILE . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.605 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.721 HD13 HG11 ' B' ' 26' ' ' VAL . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.638 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.3 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.638 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.628 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.455 ' N ' HG23 ' B' ' 44' ' ' ILE . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' B' ' 51' ' ' GLU . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 23' ' ' ILE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 49' ' ' GLN . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.632 HD23 HD13 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.528 ' HB3' ' HG ' ' B' ' 19' ' ' SER . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.632 HD13 HD23 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.628 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.453 HD22 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.7 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 259' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 260' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.446 ' HB3' HG11 ' B' ' 70' ' ' VAL . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 263' ' ' ILE . . . . . 0.927 ' HA ' HG23 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 264' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 265' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 266' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 267' ' ' ILE . . . . . 0.605 HD12 HG21 ' B' ' 44' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 269' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.647 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.45 ' HA ' ' HZ3' ' B' ' 29' ' ' LYS . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.611 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.3 m120 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.539 ' O ' HG13 ' B' ' 30' ' ' ILE . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.647 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.7 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.544 HG21 ' HD2' ' B' ' 37' ' ' PRO . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.544 ' HD2' HG21 ' B' ' 36' ' ' ILE . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.616 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.572 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 267' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.455 ' N ' HG22 ' B' ' 44' ' ' ILE . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD13 ' B' ' 50' ' ' LEU . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 56' ' ' LEU . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' HG ' ' B' ' 65' ' ' SER . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' B' ' 62' ' ' GLN . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.685 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.927 HG23 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.498 ' HG3' ' OE2' ' A' ' 259' ' ' GLU . 39.0 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.551 0.215 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.17 47.98 2.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.769 2.312 . . . . 0.0 112.551 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -145.11 52.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.768 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.6 p30 -55.06 -31.97 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.239 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' B' ' 73' ' ' LEU . 40.0 tp10 -65.23 -48.76 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.425 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.592 ' HA ' ' HD3' ' A' ' 265' ' ' LYS . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG12 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.427 ' HB1' ' HD1' ' B' ' 68' ' ' HIS . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 263' ' ' ILE . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm -58.41 -46.27 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.83 -48.72 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 58.9 m -80.25 41.96 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 275' ' ' ARG . 20.1 ptt-85 -64.57 -45.03 88.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -79.97 42.22 0.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 85.5 p 48.71 41.44 17.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.696 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 40.2 p -79.45 143.36 35.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.481 ' HG ' HD11 ' A' ' 262' ' ' LEU . 3.0 tm? -49.83 -37.32 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 6.8 t -61.43 -41.67 97.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.68 65.06 0.11 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.883 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.696 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 88.1 tttt -154.0 116.13 4.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' B' ' 1' ' ' MET . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.419 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.672 HD12 HD23 ' B' ' 56' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.498 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.505 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.519 HG22 ' HD2' ' B' ' 37' ' ' PRO . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' B' ' 36' ' ' ILE . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.405 ' HD2' HD13 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.525 HD12 HD12 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.7 HG12 ' HG3' ' B' ' 49' ' ' GLN . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.494 ' N ' HD22 ' A' ' 271' ' ' LEU . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.7 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.421 HD11 ' N ' ' B' ' 50' ' ' LEU . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.672 HD23 HD12 ' B' ' 23' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.406 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 3.5 mm100 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.582 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.582 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.525 HD12 HD12 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.427 ' HD1' ' HB1' ' A' ' 266' ' ' ALA . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.523 HD22 HD23 ' B' ' 43' ' ' LEU . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.947 HG12 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' B' ' 71' ' ' LEU . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 -61.99 132.18 52.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 259' ' ' GLU . 52.1 tp -68.83 137.81 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -60.78 139.45 57.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.37 -39.91 93.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.64 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.662 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.94 38.96 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 112.833 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.61 135.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.063 0.458 . . . . 0.0 111.711 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -63.7 -32.26 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.633 ' HB2' ' HG ' ' B' ' 73' ' ' LEU . 34.9 tt0 -57.78 -49.37 76.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.498 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.545 HD21 HD22 ' B' ' 8' ' ' LEU . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.941 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.808 HD11 HG21 ' B' ' 44' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp -57.41 -44.03 84.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.1 -47.7 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 77.4 p -81.92 47.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.914 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -55.28 129.69 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.9 -127.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.165 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.1 m -69.76 -140.52 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.611 0.243 . . . . 0.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.276 179.819 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.615 HG12 HG23 ' B' ' 17' ' ' VAL . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -74.05 -151.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 262' ' ' LEU . 92.3 mt -59.17 -63.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.9 p -153.42 54.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.729 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.97 -109.01 0.34 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.733 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt -48.45 135.49 14.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.437 HG22 ' N ' ' B' ' 15' ' ' LEU . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.615 HG23 HG12 ' B' ' 3' ' ' ILE . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.49 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.646 ' H ' HD21 ' B' ' 25' ' ' ASN . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.51 HD13 HD21 ' B' ' 56' ' ' LEU . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.646 HD21 ' H ' ' B' ' 22' ' ' THR . 74.5 m-80 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.543 ' O ' HG13 ' B' ' 30' ' ' ILE . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.763 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.739 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.571 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.3 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.478 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG21 ' HD2' ' B' ' 37' ' ' PRO . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.571 ' HA ' HE21 ' B' ' 31' ' ' GLN . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.763 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.559 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.0 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.703 ' HG3' ' HZ3' ' B' ' 27' ' ' LYS . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.681 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 267' ' ' ILE . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.689 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.596 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.689 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.51 HD21 HD13 ' B' ' 23' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.407 ' N ' HD22 ' B' ' 67' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.631 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.941 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.559 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 -78.9 132.13 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.633 ' HG ' ' HB2' ' A' ' 259' ' ' GLU . 93.8 mt -72.95 138.2 45.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.761 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -173.28 130.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.37 131.29 41.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.486 0.184 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.83 146.32 56.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.339 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.404 ' HG2' ' HB3' ' A' ' 260' ' ' GLU . 0.3 OUTLIER -151.64 128.84 11.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.023 0.44 . . . . 0.0 111.042 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.454 ' O ' HD23 ' A' ' 262' ' ' LEU . 28.1 m-20 -96.54 -45.42 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.496 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER -57.2 -39.28 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.006 -178.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.404 ' HB3' ' HG2' ' A' ' 257' ' ' GLU . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 258' ' ' ASP . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.784 HG13 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.475 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -59.64 -43.74 93.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.23 -46.88 84.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.742 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 276' ' ' ASN . 80.8 p -77.41 68.86 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.06 34.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.528 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 274' ' ' SER . 15.3 p-10 -82.55 45.55 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 53.6 m 57.25 38.69 28.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.547 ' O ' HG23 ' B' ' 3' ' ' ILE . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.547 HG23 ' O ' ' B' ' 2' ' ' GLN . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.408 ' HD3' HG22 ' B' ' 12' ' ' THR . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p -119.94 156.11 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 3.9 mm? -75.04 43.62 0.21 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.55 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -149.57 33.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 49.56 70.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.74 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.584 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm -129.95 136.29 49.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.48 HD23 HG11 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.48 HG11 HD23 ' B' ' 15' ' ' LEU . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.624 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.539 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.478 HD13 HG22 ' B' ' 23' ' ' ILE . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.456 ' O ' HG13 ' B' ' 30' ' ' ILE . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.466 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.47 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.3 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' B' ' 41' ' ' GLN . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.403 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.821 ' HB2' HD13 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.625 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.611 HD22 HD11 ' B' ' 69' ' ' LEU . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.688 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.406 ' N ' HG23 ' B' ' 44' ' ' ILE . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.447 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.539 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.624 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' B' ' 65' ' ' SER . 26.1 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.509 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.625 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 -76.78 47.34 0.5 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 tp 64.4 131.91 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.988 0.423 . . . . 0.0 111.31 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtm105 -62.57 -43.4 98.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 137.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.511 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.534 0.207 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.81 131.42 22.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.399 2.066 . . . . 0.0 112.23 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.455 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 67.9 mm-40 -66.47 128.83 37.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.72 -44.66 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' B' ' 73' ' ' LEU . 80.8 tt0 -63.92 -49.65 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.61 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' B' ' 8' ' ' LEU . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.901 HG13 HG12 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.482 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.573 HG21 ' HA2' ' B' ' 47' ' ' GLY . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.499 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? -61.95 -40.72 96.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.75 -49.57 77.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 277' ' ' SER . 26.9 t -84.51 55.46 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.732 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.512 ' HD2' ' N ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -47.14 134.16 11.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.746 -179.713 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.09 42.68 25.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 274' ' ' SER . 79.7 p -65.88 -47.45 74.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.06 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 3.3 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.553 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.49 HG21 ' HB3' ' B' ' 69' ' ' LEU . 29.6 p -75.46 145.21 41.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' A' ' 262' ' ' LEU . 3.0 tm? -47.66 -34.04 7.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -62.82 -49.34 75.3 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.21 -35.86 0.32 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.973 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -45.93 142.43 2.63 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.442 HG23 ' N ' ' B' ' 14' ' ' THR . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.442 ' N ' HG23 ' B' ' 13' ' ' ILE . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.572 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.419 HG11 ' O ' ' B' ' 16' ' ' GLU . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.486 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.479 HD13 HD21 ' B' ' 56' ' ' LEU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.49 ' O ' HG13 ' B' ' 30' ' ' ILE . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.593 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.572 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.444 ' CG ' HD13 ' B' ' 36' ' ' ILE . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.444 HD13 ' CG ' ' B' ' 34' ' ' GLU . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.545 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 8.3 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.729 HD11 HG22 ' A' ' 263' ' ' ILE . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.573 ' HA2' HG21 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.624 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.479 HD21 HD13 ' B' ' 23' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.699 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.699 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' B' ' 67' ' ' LEU . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.583 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.49 ' HB3' HG21 ' B' ' 7' ' ' THR . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.901 HG12 HG13 ' A' ' 263' ' ' ILE . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 72' ' ' ARG . 52.7 ttt-85 -62.21 119.78 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.637 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 15.6 tp 49.52 -135.37 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.637 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 3.8 mmp_? 55.53 39.89 31.08 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.904 0.383 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.18 132.63 48.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.79 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.539 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.584 0.231 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.27 -134.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.821 2.347 . . . . 0.0 111.952 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 260' ' ' GLU . 64.5 mm-40 58.99 58.23 3.25 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 261' ' ' GLU . 54.8 m-20 -59.85 -26.16 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.29 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.444 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 -61.29 -51.38 69.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' A' ' 257' ' ' GLU . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.68 ' HB3' HD21 ' B' ' 8' ' ' LEU . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.918 ' HA ' HG23 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.572 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.59 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.575 ' HB2' ' HD2' ' B' ' 68' ' ' HIS . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt -59.76 -45.92 90.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -62.67 -54.85 33.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.6 t -86.55 39.34 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.509 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -68.57 -48.86 63.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.314 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.36 -46.56 88.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 55.6 m -80.58 41.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.154 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.638 ' H2 ' ' HE1' ' B' ' 1' ' ' MET . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.489 ' O ' HG22 ' B' ' 3' ' ' ILE . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.489 HG22 ' O ' ' B' ' 2' ' ' GLN . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.424 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 68.6 p -79.98 156.9 26.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' A' ' 262' ' ' LEU . 91.7 mt -45.33 -36.98 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.4 p -62.72 -48.79 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.628 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.27 -29.9 1.08 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.792 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt -45.22 139.45 3.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.404 ' OG1' ' HG2' ' B' ' 6' ' ' LYS . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.453 HD11 HG22 ' B' ' 13' ' ' ILE . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.423 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.556 ' O ' HG11 ' B' ' 17' ' ' VAL . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.665 ' HA ' ' HZ1' ' B' ' 29' ' ' LYS . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.556 HD13 HD23 ' B' ' 56' ' ' LEU . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.423 ' HE3' ' CD1' ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.665 ' HZ1' ' HA ' ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 ' OE1' ' B' ' 41' ' ' GLN . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.562 HG21 ' HD2' ' B' ' 37' ' ' PRO . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.562 ' HD2' HG21 ' B' ' 36' ' ' ILE . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.2 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HB2' HD13 ' B' ' 69' ' ' LEU . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.56 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.622 HD22 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.602 HD11 HE21 ' B' ' 49' ' ' GLN . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.602 HE21 HD11 ' B' ' 44' ' ' ILE . 14.5 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.427 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.556 HD23 HD13 ' B' ' 23' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.4 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.587 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.4 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.49 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.622 HD23 HD22 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HD2' ' HB2' ' A' ' 270' ' ' SER . 91.0 m-70 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 41' ' ' GLN . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.918 HG23 ' HA ' ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.512 HD22 HD12 ' B' ' 8' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.459 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 -70.28 116.31 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.19 131.94 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.484 ' O ' ' HD2' ' B' ' 74' ' ' ARG . 4.1 tmm_? -176.72 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.184 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.61 -136.66 2.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.575 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.12 138.82 63.69 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.125 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.415 ' OE2' HD23 ' B' ' 73' ' ' LEU . 4.7 mm-40 66.47 135.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.072 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.61 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.7 p30 -74.68 13.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.675 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 258' ' ' ASP . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.707 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.719 ' HA ' HG23 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' A' ' 272' ' ' LYS . 3.9 mmmp? -55.95 -48.92 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.81 -46.91 67.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.3 p -79.76 55.66 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -51.97 133.97 32.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.4 m120 58.34 45.7 16.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 57.8 m 57.67 -143.98 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.137 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.67 HD12 HG11 ' B' ' 17' ' ' VAL . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.595 ' HB3' ' HZ2' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 59.7 p -87.09 125.99 34.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 262' ' ' LEU . 7.8 mp 51.87 -103.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.9 m -153.46 58.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.32 -59.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.51 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp -81.24 118.69 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.998 0.399 . . . . 0.0 111.067 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.67 HG11 HD12 ' B' ' 3' ' ' ILE . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.427 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.419 HD12 HG23 ' B' ' 23' ' ' ILE . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.474 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.549 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.474 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.481 HG23 HD22 ' B' ' 71' ' ' LEU . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.481 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.768 HD23 HD12 ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.495 HG21 ' N ' ' B' ' 45' ' ' PHE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.495 ' N ' HG21 ' B' ' 44' ' ' ILE . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.707 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.707 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.543 HD21 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.543 HD12 HD21 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.654 ' HZ3' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.768 HD12 HD23 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.412 ' HD2' ' OG ' ' A' ' 270' ' ' SER . 91.1 m-70 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.572 HD23 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' ' 263' ' ' ILE . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.572 ' HG ' HD23 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 -56.05 115.34 2.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.415 HD23 ' OE2' ' A' ' 257' ' ' GLU . 50.7 tp 61.28 133.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.402 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.506 ' HG3' ' OD1' ' A' ' 258' ' ' ASP . 24.9 mtm105 -60.68 134.29 56.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.07 45.78 2.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.716 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.66 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . 0.492 ' CD1' ' HD2' ' A' ' 256' ' ' PRO . 34.8 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.533 0.206 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . 0.492 ' HD2' ' CD1' ' A' ' 255' ' ' TYR . 30.8 Cg_endo -64.12 134.43 42.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.558 2.172 . . . . 0.0 112.399 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.73 132.28 49.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.79 -38.45 70.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.547 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 -59.92 -45.97 90.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.635 HD13 ' HB3' ' B' ' 8' ' ' LEU . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.813 HG13 HG12 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.538 ' O ' ' HG3' ' A' ' 273' ' ' GLU . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.564 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.47 -44.26 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 269' ' ' LEU . 95.8 mt-10 -58.13 -43.34 87.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 66.4 m -64.74 128.73 37.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.2 -39.55 40.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 277' ' ' SER . 5.6 m120 -55.39 -47.66 75.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 276' ' ' ASN . 53.2 m 74.0 -43.43 0.54 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.584 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.262 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.57 HD11 HD13 ' B' ' 67' ' ' LEU . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 66.5 p -88.58 150.53 23.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' A' ' 262' ' ' LEU . 3.8 mm? -75.24 53.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.348 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -152.3 -46.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.281 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.32 59.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.214 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp -159.98 141.52 12.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.999 0.4 . . . . 0.0 111.683 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.606 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.597 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.447 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.555 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.523 HD13 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.694 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.579 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.678 HD13 HG12 ' B' ' 26' ' ' VAL . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' OE2' HG22 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.542 HG21 ' HD2' ' B' ' 37' ' ' PRO . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.542 ' HD2' HG21 ' B' ' 36' ' ' ILE . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.579 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.507 ' HB3' HD11 ' B' ' 50' ' ' LEU . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.472 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.564 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' ' 267' ' ' ILE . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.524 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.523 HD13 HD13 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.413 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.413 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.46 HD12 HD23 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.57 HD13 HD11 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.643 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.0 m-70 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.448 ' O ' HD23 ' B' ' 8' ' ' LEU . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.813 HG12 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.547 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 -57.35 144.21 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -48.35 137.02 11.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -54.94 -47.53 74.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.61 134.89 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.677 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.593 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.35 137.33 50.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.686 2.257 . . . . 0.0 112.538 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.9 131.63 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -66.03 -37.82 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.44 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 0.3 OUTLIER -60.97 -49.43 77.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.757 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.935 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.436 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.448 ' HB3' ' CG ' ' B' ' 68' ' ' HIS . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.687 HD13 HG22 ' B' ' 44' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.573 HD22 ' HA3' ' B' ' 47' ' ' GLY . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm -62.56 -41.44 98.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.12 -52.57 62.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 48.8 m -64.33 -44.96 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' A' ' 276' ' ' ASN . 32.7 ttt85 58.12 -133.15 1.15 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.186 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.548 ' H ' ' HG2' ' A' ' 275' ' ' ARG . 3.0 m120 -71.06 -53.89 13.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.282 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 34.9 t -179.3 44.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.703 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.097 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.43 ' HB3' ' HE3' ' B' ' 1' ' ' MET . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.709 HE21 ' HG2' ' B' ' 64' ' ' GLU . 19.4 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.627 HD11 HD12 ' B' ' 67' ' ' LEU . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.549 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 80.5 p -100.38 148.37 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.757 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 4.4 mm? -51.5 -34.55 36.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.042 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p -61.78 -50.04 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.403 ' H ' ' HG1' ' B' ' 7' ' ' THR . . . 136.15 58.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.805 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -149.71 128.35 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.579 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HG12 ' B' ' 17' ' ' VAL . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.542 HG11 HD12 ' B' ' 3' ' ' ILE . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.496 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.431 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.686 HG12 HD12 ' B' ' 30' ' ' ILE . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HZ3' ' HA ' ' B' ' 17' ' ' VAL . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.686 HD12 HG12 ' B' ' 26' ' ' VAL . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.416 ' OE2' HD11 ' B' ' 13' ' ' ILE . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.536 HG22 ' HD2' ' B' ' 37' ' ' PRO . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' B' ' 36' ' ' ILE . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.815 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.729 ' HG3' ' HZ3' ' B' ' 27' ' ' LYS . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.571 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.687 HG22 HD13 ' A' ' 267' ' ' ILE . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.409 ' N ' HG23 ' B' ' 44' ' ' ILE . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.573 ' HA3' HD22 ' A' ' 271' ' ' LEU . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.561 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.4 mm100 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.496 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.431 HD12 HG22 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.614 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.709 ' HG2' HE21 ' B' ' 2' ' ' GLN . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.627 HD12 HD11 ' B' ' 3' ' ' ILE . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.651 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.935 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.03 136.67 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.44 ' HG ' ' HG2' ' A' ' 259' ' ' GLU . 95.5 mt -59.91 137.03 58.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 66.06 135.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.108 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.09 135.46 2.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.544 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.585 0.231 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . 0.755 ' HB2' ' HB2' ' A' ' 260' ' ' GLU . 25.3 Cg_endo -61.83 138.13 72.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.536 2.157 . . . . 0.0 112.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -144.61 -64.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -75.6 -40.64 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -72.19 -37.59 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.07 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 256' ' ' PRO . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.855 HD22 ' HG ' ' B' ' 8' ' ' LEU . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.956 HG13 HG12 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.439 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.627 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.04 -49.03 74.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.89 -51.56 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' A' ' 278' ' ' ALA . 46.9 t -84.12 48.03 1.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.404 HH11 ' HG3' ' A' ' 275' ' ' ARG . 40.7 ttt85 -62.69 -46.64 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -175.63 53.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.595 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 41.5 t -172.61 -49.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 274' ' ' SER . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.252 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.615 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.542 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.45 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 82.2 p -82.26 140.61 33.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.855 ' HG ' HD22 ' A' ' 262' ' ' LEU . 2.6 tm? -50.75 -36.23 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.37 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.8 p -61.13 -50.35 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 55.3 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.212 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.45 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 56.7 tptt -158.76 117.16 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.458 HG21 ' N ' ' B' ' 14' ' ' THR . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.458 ' N ' HG21 ' B' ' 13' ' ' ILE . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.463 HD11 ' C ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.615 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 16' ' ' GLU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.51 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.528 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.509 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.509 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.443 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 54.5 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.562 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD2' HG22 ' B' ' 36' ' ' ILE . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.786 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.562 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.492 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.596 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.465 ' N ' HG21 ' B' ' 44' ' ' ILE . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.627 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.528 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' B' ' 56' ' ' LEU . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.514 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' B' ' 41' ' ' GLN . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.956 HG12 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.416 HD21 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.528 ' NH1' ' HB3' ' B' ' 73' ' ' LEU . 35.0 tpt85 -66.6 142.2 57.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.839 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.3 tp -56.9 136.67 55.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.839 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 37.0 mmt180 61.18 -127.39 0.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.28 -134.36 39.37 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 2.4 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 7.4 Cg_exo -74.28 51.0 2.4 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.208 2.605 . . . . 0.0 112.868 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.429 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 50.9 mt-10 -146.4 45.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.075 0.464 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.606 ' HB2' HD13 ' B' ' 73' ' ' LEU . 24.7 m-20 -63.79 -20.98 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -59.73 -49.12 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.668 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 257' ' ' GLU . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.533 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.583 HD11 HD22 ' B' ' 8' ' ' LEU . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.941 HG13 HG13 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.533 ' HD2' ' OE1' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.473 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.593 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm -60.25 -44.22 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -62.34 -47.76 82.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 90.3 p -59.8 -39.35 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 65.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.563 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 6.3 m120 53.76 46.82 25.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.863 0.364 . . . . 0.0 110.642 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 63.9 m 60.12 45.13 12.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.136 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.464 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.521 HE22 ' NZ ' ' B' ' 63' ' ' LYS . 3.1 pm0 -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HG3' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.481 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 43.1 p -78.83 144.67 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 262' ' ' LEU . 3.2 tm? -47.19 -36.95 9.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.198 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -63.59 -44.52 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.59 58.25 0.08 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.052 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -151.31 112.44 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.544 HG22 ' HZ1' ' B' ' 33' ' ' LYS . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.63 HD11 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.63 HG13 HD11 ' B' ' 15' ' ' LEU . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.462 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.834 HD11 HD22 ' B' ' 56' ' ' LEU . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.476 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.419 ' O ' HG13 ' B' ' 30' ' ' ILE . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.735 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.544 ' HZ1' HG22 ' B' ' 13' ' ' ILE . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.423 ' OE2' HD11 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.413 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.465 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.507 ' OE1' ' HA ' ' B' ' 38' ' ' PRO . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.66 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.424 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.546 HD13 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.497 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.476 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.525 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.834 HD22 HD11 ' B' ' 23' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.521 ' NZ ' HE22 ' B' ' 2' ' ' GLN . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.447 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.941 HG13 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -73.25 136.57 44.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 258' ' ' ASP . 6.9 mp -63.65 127.06 29.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -76.9 -42.9 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.07 -42.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.526 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 24.9 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.746 0.308 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.45 131.51 32.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.3 2.0 . . . . 0.0 112.074 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.15 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.546 ' HB2' HD13 ' B' ' 73' ' ' LEU . 1.5 m-20 -60.32 -40.87 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.53 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.5 -48.03 83.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.481 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.528 HD13 HD13 ' B' ' 8' ' ' LEU . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.913 HG13 HG12 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.613 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.623 HD12 HG21 ' B' ' 44' ' ' ILE . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.414 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt -56.85 -43.8 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.85 -51.05 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 52.5 m -85.99 39.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -70.01 -42.66 72.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.516 HD21 ' H ' ' A' ' 277' ' ' SER . 0.8 OUTLIER -169.34 135.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' SER . . . . . 0.516 ' H ' HD21 ' A' ' 276' ' ' ASN . 39.6 t 59.77 44.4 14.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.14 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 3' ' ' ILE . 3.1 mm100 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.513 HG22 ' O ' ' B' ' 2' ' ' GLN . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.675 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -94.23 155.68 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.528 HD13 HD13 ' A' ' 262' ' ' LEU . 2.2 mm? -52.39 -38.12 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.967 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -61.85 -46.16 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.981 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.23 62.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.591 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -149.1 120.31 7.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.5 HG21 ' N ' ' B' ' 14' ' ' THR . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.5 ' N ' HG21 ' B' ' 13' ' ' ILE . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.535 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.535 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.578 HG12 HG11 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' HG21 ' B' ' 55' ' ' THR . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.625 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.525 HD22 ' HE2' ' B' ' 29' ' ' LYS . 42.8 t30 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.578 HG11 HG12 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HE2' HD22 ' B' ' 25' ' ' ASN . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.409 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.0 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.407 ' HA ' HE21 ' B' ' 31' ' ' GLN . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.506 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.846 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.425 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.711 HG12 ' HG3' ' B' ' 49' ' ' GLN . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.711 ' HG3' HG12 ' B' ' 44' ' ' ILE . 14.2 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.452 HD11 ' H ' ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HG2' ' H ' ' B' ' 52' ' ' ASP . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.625 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.432 HG21 ' O ' ' B' ' 20' ' ' SER . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HD13 ' B' ' 23' ' ' ILE . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.913 HG12 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 -69.6 137.42 52.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 258' ' ' ASP . 96.3 mt -61.52 134.44 56.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -61.48 131.65 50.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.57 97.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.564 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.567 0.222 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.5 133.53 52.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.52 2.147 . . . . 0.0 112.239 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.629 ' HB2' ' HG3' ' A' ' 260' ' ' GLU . 56.6 mt-10 -65.04 140.08 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.58 -42.18 78.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.599 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 -58.29 -42.62 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.092 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.629 ' HG3' ' HB2' ' A' ' 257' ' ' GLU . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.788 HD13 HD22 ' B' ' 8' ' ' LEU . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.834 ' HA ' HG23 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.5 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.826 HD12 HG23 ' B' ' 44' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.417 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.775 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER -61.61 -42.93 99.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.24 -43.4 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' A' ' 275' ' ' ARG . 55.7 m -57.44 -40.21 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 274' ' ' SER . 56.6 ttp180 74.5 -41.9 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.31 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 276' ' ' ASN . 2.9 m120 -70.06 -137.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.773 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 45.4 t -171.03 48.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.964 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.612 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.501 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p -78.98 144.25 34.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.788 HD22 HD13 ' A' ' 262' ' ' LEU . 2.6 tm? -48.6 -37.34 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -61.68 -47.66 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.94 63.16 0.06 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.869 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -155.82 117.71 4.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.415 HG23 ' N ' ' B' ' 14' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.415 ' N ' HG23 ' B' ' 13' ' ' ILE . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.423 HD13 ' C ' ' B' ' 15' ' ' LEU . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.56 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.563 HD22 ' HE2' ' B' ' 29' ' ' LYS . 49.2 t30 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 30' ' ' ILE . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.563 ' HE2' HD22 ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.552 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.7 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.465 HD13 HG21 ' B' ' 36' ' ' ILE . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.548 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 3.4 mm100 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.717 ' HB2' HD12 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.606 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.826 HG23 HD12 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.478 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 43' ' ' LEU . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.678 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.678 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.525 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.478 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 89.9 m-70 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.717 HD12 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.834 HG23 ' HA ' ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 -71.49 106.22 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.524 HD13 ' HG2' ' B' ' 72' ' ' ARG . 7.9 mp 60.39 128.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.127 0.489 . . . . 0.0 111.323 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.595 ' HD3' ' N ' ' B' ' 75' ' ' GLY . 0.0 OUTLIER -173.76 131.17 0.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.595 ' N ' ' HD3' ' B' ' 74' ' ' ARG . . . 59.43 -135.09 51.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.648 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.439 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.02 139.98 87.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -166.49 134.67 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.04 -34.33 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -57.32 -42.16 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.38 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.927 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.666 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.666 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.421 ' HA ' ' HD2' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.26 -42.84 78.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -61.05 -38.64 86.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.646 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.8 t -77.31 54.65 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.6 -48.71 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.012 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -156.56 39.3 0.33 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 79.6 p -70.58 -45.15 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.167 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.447 HG12 HG22 ' B' ' 17' ' ' VAL . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.404 ' HG1' ' H ' ' B' ' 11' ' ' LYS . 79.1 p -112.75 141.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.631 HD22 HG23 ' B' ' 70' ' ' VAL . 4.2 mm? -51.77 -31.42 26.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -61.51 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.1 53.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.671 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.404 ' H ' ' HG1' ' B' ' 7' ' ' THR . 23.9 ttmm -142.24 134.67 27.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.597 HD13 ' HZ2' ' B' ' 29' ' ' LYS . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.447 HG22 HG12 ' B' ' 3' ' ' ILE . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.4 ' O ' HG21 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.452 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.472 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.587 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.472 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.491 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' B' ' 41' ' ' GLN . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.681 HE21 ' HB2' ' B' ' 71' ' ' LEU . 41.8 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.454 HG21 ' N ' ' B' ' 45' ' ' PHE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.454 ' N ' HG21 ' B' ' 44' ' ' ILE . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.653 ' N ' HD13 ' B' ' 50' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.551 ' O ' HG22 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.557 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.482 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.927 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.681 ' HB2' HE21 ' B' ' 40' ' ' GLN . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.6 140.15 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.479 HD22 ' N ' ' B' ' 73' ' ' LEU . 2.0 pt? -167.75 133.66 2.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.748 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' B' ' 74' ' ' ARG . 40.7 mmt-85 -68.95 -44.12 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.76 -41.28 2.13 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.619 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.577 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . 0.515 ' HB2' ' H ' ' A' ' 257' ' ' GLU . 57.8 Cg_endo -69.47 -141.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.341 2.028 . . . . 0.0 112.465 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.515 ' H ' ' HB2' ' A' ' 256' ' ' PRO . 93.6 mt-10 55.54 41.0 31.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.458 ' O ' HD22 ' A' ' 262' ' ' LEU . 52.3 p-10 -78.59 13.26 1.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.237 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.42 -44.36 92.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' B' ' 8' ' ' LEU . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.987 ' HA ' HG22 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.639 ' HZ1' ' HB2' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.624 ' HB3' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp -58.69 -44.73 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.8 98.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' A' ' 277' ' ' SER . 68.3 m -78.55 51.23 1.04 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.304 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.512 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -59.57 -48.79 80.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.467 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.1 -45.69 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 274' ' ' SER . 48.7 m -79.97 42.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.141 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.616 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.494 HG21 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -88.93 152.75 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.723 HD12 ' H ' ' B' ' 71' ' ' LEU . 97.1 mt -49.93 -41.13 45.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 p -61.5 -49.83 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.23 67.89 0.07 OUTLIER Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.731 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -149.99 127.86 11.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.495 HD23 HG12 ' B' ' 30' ' ' ILE . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.616 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.404 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.523 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' B' ' 30' ' ' ILE . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.524 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.584 HD23 ' N ' ' B' ' 43' ' ' LEU . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.496 HD13 ' HB1' ' A' ' 266' ' ' ALA . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' HA2' HG22 ' A' ' 267' ' ' ILE . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.472 HD22 ' O ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.409 ' O ' ' HE2' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.544 HD22 HD12 ' B' ' 71' ' ' LEU . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.723 ' H ' HD12 ' B' ' 8' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 -72.11 138.92 48.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 pp -167.28 137.06 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.154 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -75.58 -142.49 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.656 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.07 42.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.378 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.45 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.68 134.63 54.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.512 2.141 . . . . 0.0 112.245 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.553 ' HB2' ' OE1' ' A' ' 259' ' ' GLU . 0.9 OUTLIER -61.31 135.94 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.423 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -92.56 13.59 19.38 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' B' ' 73' ' ' LEU . 6.3 mp0 -71.44 -46.18 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.442 ' HG2' ' OE1' ' A' ' 257' ' ' GLU . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.666 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.534 ' HG ' HD13 ' B' ' 8' ' ' LEU . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.962 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.675 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.675 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.564 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.61 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -54.43 -52.37 62.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.963 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 47.2 t -68.68 127.51 33.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.528 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -76.64 -55.3 5.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.445 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -70.32 -59.5 2.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 46.4 t -179.39 136.94 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.136 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.421 ' O ' HG23 ' B' ' 3' ' ' ILE . 26.3 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 HG22 ' B' ' 17' ' ' VAL . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.425 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p -91.08 148.26 22.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 266' ' ' ALA . 91.4 mt -75.54 50.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.284 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.509 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 65.2 p -147.6 -48.99 0.17 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.509 ' H ' ' HG1' ' B' ' 9' ' ' THR . . . 156.25 61.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.3 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm -158.14 133.56 8.84 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.087 0.444 . . . . 0.0 111.729 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' B' ' 6' ' ' LYS . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.405 HD13 HG23 ' B' ' 13' ' ' ILE . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.533 HD12 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.609 ' O ' HG13 ' B' ' 17' ' ' VAL . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.609 HG13 ' O ' ' B' ' 16' ' ' GLU . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.552 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.598 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.605 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.521 ' O ' HG13 ' B' ' 30' ' ' ILE . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.614 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.614 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.515 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.461 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.448 HD13 ' H ' ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.486 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.598 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.461 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.508 HE21 ' HB2' ' B' ' 65' ' ' SER . 3.4 pm0 -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.508 ' HB2' HE21 ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 67' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.697 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.594 HD21 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.962 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.506 HD21 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.515 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 -72.92 73.02 1.13 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 259' ' ' GLU . 6.5 mp 66.82 132.47 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -61.71 133.91 56.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.2 133.64 42.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.411 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.452 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.576 0.227 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.7 134.48 35.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.131 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . 0.468 ' HB3' ' HG2' ' A' ' 260' ' ' GLU . 5.4 tp10 -63.27 136.25 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.98 -40.87 95.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.425 ' OE1' HD12 ' A' ' 263' ' ' ILE . 3.9 tm-20 -57.68 -45.67 85.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' A' ' 257' ' ' GLU . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.69 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.408 HD21 HD21 ' B' ' 8' ' ' LEU . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 1.001 ' HA ' HG22 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.69 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.63 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 263' ' ' ILE . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.503 ' HG ' ' H ' ' B' ' 47' ' ' GLY . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.568 HD21 ' HA3' ' B' ' 47' ' ' GLY . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt -56.28 -45.95 79.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -68.51 -44.06 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 52.9 m -78.49 58.67 2.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.463 ' C ' ' HD2' ' A' ' 275' ' ' ARG . 5.5 tmm_? -54.05 -39.44 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.75 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.782 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 50.6 m -160.23 49.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.987 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.445 ' HE2' ' HB3' ' B' ' 1' ' ' MET . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.755 HD11 HD21 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' B' ' 66' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.604 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 77.1 p -92.96 -158.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.564 HD11 HG13 ' B' ' 70' ' ' VAL . 84.6 mt -86.18 -38.53 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.185 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -76.38 34.91 0.14 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.834 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' CE ' ' B' ' 6' ' ' LYS . . . 51.36 36.17 36.95 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.975 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt -97.65 138.14 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.449 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 17' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.5 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.539 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.493 ' O ' HG13 ' B' ' 30' ' ' ILE . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.563 ' CE ' ' HB2' ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.428 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.499 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.444 ' OE1' HD21 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 263' ' ' ILE . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.585 HD12 HG22 ' A' ' 263' ' ' ILE . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.46 ' N ' ' HG ' ' A' ' 270' ' ' SER . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.568 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' B' ' 61' ' ' ILE . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' B' ' 56' ' ' LEU . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.755 HD21 HD11 ' B' ' 3' ' ' ILE . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.444 HD21 ' OE1' ' B' ' 41' ' ' GLN . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 1.001 HG22 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.525 ' H ' HD13 ' B' ' 8' ' ' LEU . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.526 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 -59.32 107.23 0.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.655 HD13 ' N ' ' B' ' 73' ' ' LEU . 4.9 mp 47.44 -135.0 1.02 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.248 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -175.41 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.856 0.36 . . . . 0.0 110.493 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.82 43.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.453 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.473 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.701 0.286 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 132.44 21.82 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.581 2.188 . . . . 0.0 112.26 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.53 132.86 49.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.53 ' HB3' HD11 ' B' ' 73' ' ' LEU . 33.9 t70 -66.77 -44.05 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.586 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 -59.52 -42.42 92.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.603 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.871 HG13 HG13 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.408 ' HB3' ' CG ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? -58.7 -45.92 88.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.57 -46.74 84.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 81.0 p -78.73 57.77 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.355 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.48 -42.7 67.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -172.92 135.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 59.3 m -161.29 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.019 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.504 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.491 HD11 HD11 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' B' ' 66' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.585 ' HZ1' ' HA2' ' B' ' 10' ' ' GLY . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -89.33 -152.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.603 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 3.5 mm? -92.37 -41.08 10.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.5 m -61.59 -50.31 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.54 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.585 ' HA2' ' HZ1' ' B' ' 6' ' ' LYS . . . 157.46 -27.17 0.48 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.773 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -47.9 138.11 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.435 HG23 ' N ' ' B' ' 15' ' ' LEU . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.435 ' N ' HG23 ' B' ' 14' ' ' THR . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.66 HG12 HG12 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 21' ' ' ASP . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.426 ' HG ' ' HB3' ' B' ' 57' ' ' SER . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.523 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.661 HD13 HD22 ' B' ' 56' ' ' LEU . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.58 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 3.1 m120 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.66 HG12 HG12 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.676 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.673 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.661 HG21 HD21 ' B' ' 71' ' ' LEU . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.548 ' OE1' ' HB ' ' B' ' 36' ' ' ILE . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.663 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.676 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.853 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD12 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.495 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 271' ' ' LEU . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.495 ' NZ ' ' HB2' ' B' ' 46' ' ' ALA . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.853 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.482 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.624 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.58 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.603 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.661 HD22 HD13 ' B' ' 23' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.426 ' HB3' ' HG ' ' B' ' 19' ' ' SER . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.409 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.631 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.631 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 266' ' ' ALA . 91.5 m-70 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.871 HG13 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.661 HD21 HG21 ' B' ' 36' ' ' ILE . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.586 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER -60.0 135.45 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 258' ' ' ASP . 87.0 mt -61.36 134.63 57.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' B' ' 74' ' ' ARG . 69.0 mtt-85 65.43 133.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.35 -42.7 0.07 OUTLIER Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.613 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 39.0 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.492 0.187 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.26 135.69 51.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.578 2.185 . . . . 0.0 112.01 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.27 143.64 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . 0.421 ' HA ' ' OE1' ' A' ' 261' ' ' GLU . 58.7 t0 -52.56 -26.52 13.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.015 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 -57.43 -43.17 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.49 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' B' ' 8' ' ' LEU . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.862 HG13 HG12 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' B' ' 8' ' ' LEU . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 263' ' ' ILE . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.445 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.44 HD22 ' O ' ' B' ' 46' ' ' ALA . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.64 -43.35 89.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.82 -47.0 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.279 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.6 p -59.13 -39.24 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 275' ' ' ARG . 5.0 tpm_? 63.5 57.52 1.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.04 135.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.573 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.2 m 63.85 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.334 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.982 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.401 ' O ' HG21 ' B' ' 3' ' ' ILE . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.567 HD12 HG21 ' B' ' 17' ' ' VAL . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' B' ' 66' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.443 ' HG3' ' HG1' ' B' ' 12' ' ' THR . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.578 HG21 ' HE2' ' B' ' 11' ' ' LYS . 78.1 p -79.9 -151.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' A' ' 262' ' ' LEU . 87.2 mt -131.78 47.82 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.204 0.526 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -152.71 -43.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.24 60.63 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.127 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.578 ' HE2' HG21 ' B' ' 7' ' ' THR . 38.8 ttpt -157.18 135.3 11.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.567 HD13 ' HZ3' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.627 HD22 HG11 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.589 ' O ' HG12 ' B' ' 17' ' ' VAL . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.589 HG12 ' O ' ' B' ' 16' ' ' GLU . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.466 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.589 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.627 HG11 HD22 ' B' ' 15' ' ' LEU . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.597 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.485 HG12 HD21 ' B' ' 15' ' ' LEU . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.567 ' HZ3' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.545 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' B' ' 36' ' ' ILE . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.597 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 70.4 tp60 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.545 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.602 ' HE ' HD11 ' A' ' 263' ' ' ILE . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' B' ' 49' ' ' GLN . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.44 ' O ' HD22 ' A' ' 271' ' ' LEU . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.411 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.589 ' O ' HG13 ' B' ' 23' ' ' ILE . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.627 HD23 HD13 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.627 HD13 HD23 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.579 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.534 HD11 HD11 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.862 HG12 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.49 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 -57.8 140.46 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.02 132.76 54.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.8 ttt-85 -173.05 -44.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.772 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.17 -133.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.768 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.295 -1.281 . . . . 0.0 112.76 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.622 0.248 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.8 141.65 92.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.631 2.221 . . . . 0.0 112.074 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -52.51 134.7 34.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -60.16 -36.37 77.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.299 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.84 -36.6 81.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.491 ' HB3' HD22 ' B' ' 8' ' ' LEU . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.931 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.421 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.648 HG22 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.42 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.86 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -38.73 92.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 83.6 p -76.89 56.54 1.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -56.49 -43.84 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -172.61 -43.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 70.5 m -162.12 45.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.76 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.141 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.489 ' O ' HG22 ' B' ' 3' ' ' ILE . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.65 HD12 HG23 ' B' ' 17' ' ' VAL . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -86.5 146.53 26.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.821 HD13 HG12 ' B' ' 70' ' ' VAL . 93.7 mt -47.86 -36.41 11.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -61.78 -49.18 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.7 59.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -151.39 116.25 5.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.447 HG21 ' N ' ' B' ' 15' ' ' LEU . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.659 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.654 HG13 HD11 ' B' ' 15' ' ' LEU . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.528 ' HG ' ' HB3' ' B' ' 57' ' ' SER . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.721 HG11 HD13 ' B' ' 30' ' ' ILE . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.607 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.605 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.721 HD13 HG11 ' B' ' 26' ' ' VAL . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.638 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.3 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.424 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.638 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.628 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.455 ' N ' HG23 ' B' ' 44' ' ' ILE . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.62 ' HZ2' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' B' ' 51' ' ' GLU . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.505 ' O ' HG13 ' B' ' 23' ' ' ILE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' B' ' 49' ' ' GLN . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.632 HD23 HD13 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.528 ' HB3' ' HG ' ' B' ' 19' ' ' SER . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.632 HD13 HD23 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.628 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' B' ' 8' ' ' LEU . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.7 ttt-85 -72.31 141.25 48.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.8 mt -133.84 132.28 40.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -67.13 -43.64 81.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.32 47.0 91.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.639 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.492 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.519 0.199 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.58 136.55 71.87 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.571 2.181 . . . . 0.0 112.457 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -59.32 137.0 58.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.716 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.95 -44.18 96.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 -64.33 -51.01 65.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.426 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.776 HD12 HD23 ' B' ' 8' ' ' LEU . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 263' ' ' ILE . . . . . 0.927 ' HA ' HG23 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 265' ' ' LYS . . . . . 0.502 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 266' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 267' ' ' ILE . . . . . 0.605 HD12 HG21 ' B' ' 44' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.45 -39.46 93.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -34.86 72.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.552 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 40.8 t -156.77 121.63 4.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' ARG . . . . . 0.503 ' N ' ' HD3' ' A' ' 275' ' ' ARG . 0.9 OUTLIER -72.46 -55.28 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.21 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' ASN . . . . . 0.548 HD21 ' N ' ' A' ' 276' ' ' ASN . 0.0 OUTLIER -66.64 142.94 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 54.9 m -58.06 131.19 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.28 -152.53 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.776 HD23 HD12 ' A' ' 262' ' ' LEU . 6.9 mp -75.43 -56.14 5.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.893 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.5 m -62.08 -50.73 70.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.081 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.478 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 148.2 25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt -81.57 115.38 20.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.647 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.45 ' HA ' ' HZ3' ' B' ' 29' ' ' LYS . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.611 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.519 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.3 m120 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.539 ' O ' HG13 ' B' ' 30' ' ' ILE . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.647 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.416 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.7 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.544 HG21 ' HD2' ' B' ' 37' ' ' PRO . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.544 ' HD2' HG21 ' B' ' 36' ' ' ILE . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.616 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.507 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.572 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 267' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.455 ' N ' HG22 ' B' ' 44' ' ' ILE . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 278' ' ' ALA . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.431 ' N ' HD13 ' B' ' 50' ' ' LEU . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.644 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 56' ' ' LEU . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' HG ' ' B' ' 65' ' ' SER . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.669 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.669 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' B' ' 62' ' ' GLN . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.685 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.499 ' O ' HD12 ' B' ' 8' ' ' LEU . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.927 HG23 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.658 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 39.0 ttm180 -71.31 129.95 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.658 ' HG ' ' HG2' ' B' ' 72' ' ' ARG . 54.5 mt 53.72 -136.61 1.32 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.04 137.03 58.25 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.752 0.311 . . . . 0.0 110.757 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.66 45.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.446 -1.197 . . . . 0.0 112.468 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 40.0 tp10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.683 0.278 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.592 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 1.027 HG13 HG11 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.917 HG23 ' HA2' ' B' ' 47' ' ' GLY . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HD2' ' HB ' ' B' ' 12' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.2 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.628 HG11 HG22 ' B' ' 26' ' ' VAL . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.466 HD12 HD23 ' B' ' 50' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.628 HG22 HG11 ' B' ' 17' ' ' VAL . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.515 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' B' ' 71' ' ' LEU . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.868 ' HD2' HD11 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.931 HD11 HG12 ' A' ' 263' ' ' ILE . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.719 ' HG3' HG12 ' B' ' 44' ' ' ILE . 23.0 mp0 -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.466 HD23 HD12 ' B' ' 23' ' ' ILE . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.638 HD22 HD12 ' B' ' 61' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.638 HD12 HD22 ' B' ' 56' ' ' LEU . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 49.7 mm-40 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.604 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.604 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.743 HD13 ' N ' ' B' ' 70' ' ' VAL . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.027 HG11 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' B' ' 41' ' ' GLN . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.532 ' OE1' ' HD2' ' B' ' 72' ' ' ARG . 34.9 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.747 0.308 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.529 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.734 HD22 HG13 ' B' ' 70' ' ' VAL . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 1.042 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.529 ' HE ' ' HA ' ' A' ' 261' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 263' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.567 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.625 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.757 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.611 HG11 HG13 ' B' ' 26' ' ' VAL . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.611 HG13 HG11 ' B' ' 17' ' ' VAL . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.81 ' HZ1' ' HG ' ' B' ' 43' ' ' LEU . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.757 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.487 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.777 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.591 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 83.4 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.697 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.81 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.567 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.598 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.725 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.739 HD22 HD12 ' B' ' 61' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.739 HD12 HD22 ' B' ' 56' ' ' LEU . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.54 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.654 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.874 HG12 HD11 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.3 mmtp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.549 HD12 HD12 ' B' ' 67' ' ' LEU . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.528 ' HD1' HG22 ' B' ' 12' ' ' THR . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.605 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' B' ' 34' ' ' GLU . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.569 HD22 HG13 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' HD23 ' B' ' 15' ' ' LEU . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.664 HG11 HG22 ' B' ' 26' ' ' VAL . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.648 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.55 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.565 HD12 HD13 ' B' ' 50' ' ' LEU . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.664 HG22 HG11 ' B' ' 17' ' ' VAL . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.9 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' B' ' 13' ' ' ILE . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.941 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.637 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.565 HD13 HD12 ' B' ' 23' ' ' ILE . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.55 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' B' ' 65' ' ' SER . 85.5 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.549 HD12 HD12 ' B' ' 3' ' ' ILE . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.531 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.84 HG21 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.637 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 1.043 HD23 HG13 ' B' ' 70' ' ' VAL . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 267' ' ' ILE . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.474 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 264' ' ' ARG . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.423 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.6 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.639 HD12 HD11 ' B' ' 67' ' ' LEU . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HE2' HG21 ' B' ' 66' ' ' THR . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.421 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 29.6 p . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' B' ' 13' ' ' ILE . 53.2 tptt . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.558 ' C ' HD12 ' B' ' 13' ' ' ILE . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.689 HD11 ' HE3' ' B' ' 11' ' ' LYS . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.597 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG22 ' B' ' 26' ' ' VAL . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.53 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.636 HG22 HG11 ' B' ' 17' ' ' VAL . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.597 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.4 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 69' ' ' LEU . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.607 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 7.2 pm0 -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' LEU . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.53 ' O ' HG21 ' B' ' 23' ' ' ILE . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.452 HD22 HD12 ' B' ' 61' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.452 HD12 HD22 ' B' ' 56' ' ' LEU . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.722 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.722 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.639 HD11 HD12 ' B' ' 3' ' ' ILE . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' B' ' 41' ' ' GLN . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.043 HG13 HD23 ' A' ' 262' ' ' LEU . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.585 ' HG3' ' NH2' ' A' ' 264' ' ' ARG . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.887 HG13 HG11 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.585 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.69 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' B' ' 1' ' ' MET . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' B' ' 12' ' ' THR . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' B' ' 4' ' ' PHE . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.752 HG11 HG13 ' B' ' 26' ' ' VAL . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.752 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.765 ' HE3' HD13 ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.597 ' HD2' HG12 ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.445 HG12 ' HG ' ' B' ' 15' ' ' LEU . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 84.5 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.564 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 267' ' ' ILE . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 3.9 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' B' ' 43' ' ' LEU . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.606 HD22 HD12 ' B' ' 61' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.606 HD12 HD22 ' B' ' 56' ' ' LEU . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.592 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.431 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 39.7 m80 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.694 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.887 HG11 HG13 ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.733 ' HG3' HD22 ' A' ' 262' ' ' LEU . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.748 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.716 HG13 HG11 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.423 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.58 HD12 HD12 ' B' ' 67' ' ' LEU . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.756 HG22 HD22 ' B' ' 69' ' ' LEU . 59.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 15' ' ' LEU . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 26' ' ' VAL . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 56' ' ' LEU . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 50' ' ' LEU . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.479 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.883 HG22 HG21 ' B' ' 17' ' ' VAL . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.471 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.471 HD13 ' O ' ' B' ' 35' ' ' GLY . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 263' ' ' ILE . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 263' ' ' ILE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 23' ' ' ILE . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.736 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.736 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.629 HD22 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.629 HD12 HD22 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.624 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.445 ' O ' HD23 ' B' ' 67' ' ' LEU . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.582 ' O ' HD12 ' B' ' 43' ' ' LEU . 39.8 m80 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.748 HG13 ' HB3' ' A' ' 262' ' ' LEU . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.868 HG13 HG11 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.474 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.614 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.551 HD13 HG21 ' B' ' 17' ' ' VAL . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD22 ' B' ' 69' ' ' LEU . 66.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.399 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 12' ' ' THR . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.645 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.579 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.463 HD12 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.733 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.614 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.536 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.463 HD13 HD12 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.627 HD22 HD12 ' B' ' 61' ' ' ILE . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 54' ' ' ARG . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.627 HD12 HD22 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' B' ' 65' ' ' SER . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' B' ' 62' ' ' GLN . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.432 HD12 HD12 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.667 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 41.3 m80 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.53 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 263' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 17' ' ' VAL . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.482 HG11 HG13 ' B' ' 26' ' ' VAL . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.62 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.688 HG21 ' O ' ' B' ' 51' ' ' GLU . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.482 HG13 HG11 ' B' ' 17' ' ' VAL . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.603 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.584 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.797 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.43 ' OE1' HG12 ' B' ' 44' ' ' ILE . 49.6 mm-40 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.688 ' O ' HG21 ' B' ' 23' ' ' ILE . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.511 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.62 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.679 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.947 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 265' ' ' LYS . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.961 HG13 HG11 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.7 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.791 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.644 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.63 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.473 HD11 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.547 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.63 HD12 HG23 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.63 HG23 HD12 ' B' ' 15' ' ' LEU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.717 HG21 ' O ' ' B' ' 51' ' ' GLU . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.818 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 17.7 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.567 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.818 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.544 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.603 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.791 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.717 ' O ' HG21 ' B' ' 23' ' ' ILE . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.535 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD22 HD12 ' B' ' 61' ' ' ILE . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.425 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.517 HD12 HD22 ' B' ' 56' ' ' LEU . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.405 ' C ' HD12 ' B' ' 67' ' ' LEU . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.626 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.961 HG11 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HD3' ' HE ' ' B' ' 42' ' ' ARG . 35.0 tpt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.678 HD12 HG13 ' B' ' 70' ' ' VAL . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 1.04 HG13 HG11 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.562 ' HE3' HD22 ' A' ' 262' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 269' ' ' LEU . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.671 HG23 ' HA2' ' B' ' 47' ' ' GLY . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.629 HG22 HD22 ' B' ' 69' ' ' LEU . 43.1 p . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.547 HG22 ' HB2' ' B' ' 6' ' ' LYS . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.466 HD12 ' OE2' ' B' ' 34' ' ' GLU . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.546 HD12 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG13 ' B' ' 26' ' ' VAL . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.574 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.636 HG13 HG11 ' B' ' 17' ' ' VAL . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.751 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.548 HG22 HE22 ' B' ' 41' ' ' GLN . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE2' HD12 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.751 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 30' ' ' ILE . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.557 HD11 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.765 HD11 HD23 ' B' ' 67' ' ' LEU . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.574 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.533 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.603 HD22 HD12 ' B' ' 61' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.603 HD12 HD22 ' B' ' 56' ' ' LEU . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.602 ' C ' HD12 ' B' ' 67' ' ' LEU . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.765 HD23 HD11 ' B' ' 50' ' ' LEU . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.629 HD22 HG22 ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.04 HG11 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.509 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.858 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.993 HG13 HG11 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.61 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.677 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.681 HG22 HD22 ' B' ' 69' ' ' LEU . 82.0 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.716 ' HE3' HD11 ' B' ' 13' ' ' ILE . 60.9 tttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.653 HG22 ' HB3' ' B' ' 6' ' ' LYS . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.716 HD11 ' HE3' ' B' ' 11' ' ' LYS . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.582 HD12 HG13 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.469 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG13 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' B' ' 21' ' ' ASP . 16.1 t-20 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.711 HG13 HG11 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.859 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.433 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.809 HD11 HG12 ' A' ' 263' ' ' ILE . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' B' ' 44' ' ' ILE . 4.0 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.553 ' O ' HG21 ' B' ' 23' ' ' ILE . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.644 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.522 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.681 HD22 HG22 ' B' ' 7' ' ' THR . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.613 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.712 0.291 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' B' ' 70' ' ' VAL . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.834 HG13 HG11 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.506 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 263' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.771 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 23.7 mp0 -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 67' ' ' LEU . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.524 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' ILE . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.435 HD13 ' O ' ' B' ' 12' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 17' ' ' VAL . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.593 HG11 HG13 ' B' ' 26' ' ' VAL . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.496 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 16.4 t-20 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.593 HG13 HG11 ' B' ' 17' ' ' VAL . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.835 ' HE3' HD23 ' B' ' 43' ' ' LEU . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.421 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 16.0 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.452 ' NE2' HH21 ' B' ' 72' ' ' ARG . 45.9 mm-40 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.966 ' HB2' HD11 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.835 HD23 ' HE3' ' B' ' 27' ' ' LYS . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 23' ' ' ILE . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.489 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 3' ' ' ILE . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.966 HD11 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.834 HG11 HG13 ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.613 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 262' ' ' LEU . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.954 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.672 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.672 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' B' ' 47' ' ' GLY . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.614 HD12 ' CD1' ' B' ' 67' ' ' LEU . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' CG2' ' B' ' 66' ' ' THR . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.479 HD13 ' O ' ' B' ' 12' ' ' THR . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.499 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.47 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.499 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.489 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.478 ' OE2' HG21 ' B' ' 13' ' ' ILE . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.596 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.503 ' HB3' ' HB2' ' B' ' 37' ' ' PRO . 16.9 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.489 HD11 HG23 ' A' ' 263' ' ' ILE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.559 ' O ' HG21 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD22 HD12 ' B' ' 61' ' ' ILE . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.532 HD12 HD22 ' B' ' 56' ' ' LEU . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' B' ' 65' ' ' SER . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.614 ' CD1' HD12 ' B' ' 3' ' ' ILE . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.526 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.954 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.901 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 57.7 ttp180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.847 ' HA ' HG21 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 267' ' ' ILE . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.409 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.542 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.634 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.546 HG23 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD21 HG13 ' B' ' 26' ' ' VAL . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.428 HD11 HD12 ' B' ' 50' ' ' LEU . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.83 ' HE2' HD23 ' B' ' 43' ' ' LEU . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' B' ' 69' ' ' LEU . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.83 HD23 ' HE2' ' B' ' 27' ' ' LYS . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HG23 ' A' ' 263' ' ' ILE . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.542 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.401 HD21 HD13 ' B' ' 23' ' ' ILE . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.42 ' HB ' ' HE1' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.62 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.847 HG21 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' LEU . 6.3 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.791 HD23 HG13 ' B' ' 70' ' ' VAL . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.964 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.677 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.677 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' B' ' 44' ' ' ILE . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.621 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.501 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG22 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.894 0.378 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' B' ' 34' ' ' GLU . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.54 ' N ' HD13 ' B' ' 15' ' ' LEU . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.605 HG11 HG22 ' B' ' 26' ' ' VAL . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.605 HG22 HG11 ' B' ' 17' ' ' VAL . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HE2' HD23 ' B' ' 43' ' ' LEU . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' B' ' 13' ' ' ILE . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.625 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.641 HD23 ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.47 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.4 ' N ' ' HB3' ' A' ' 270' ' ' SER . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.47 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' B' ' 43' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.73 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.64 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.533 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 264' ' ' ARG . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 1.025 ' HA ' HG21 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.634 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 264' ' ' ARG . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 268' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 HD22 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.511 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.95 HG22 HD23 ' B' ' 69' ' ' LEU . 77.1 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.641 HG11 HG22 ' B' ' 26' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.516 HG21 ' O ' ' B' ' 51' ' ' GLU . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.641 HG22 HG11 ' B' ' 17' ' ' VAL . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.611 ' HE3' HD22 ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.4 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE2' HG23 ' B' ' 30' ' ' ILE . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.924 ' HB3' HD11 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.599 ' O ' HD12 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.899 ' HG ' HD12 ' B' ' 50' ' ' LEU . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.547 HG12 ' OE1' ' B' ' 49' ' ' GLN . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' B' ' 50' ' ' LEU . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.425 ' HA3' ' CD2' ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.899 HD12 ' HG ' ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.516 ' O ' HG21 ' B' ' 23' ' ' ILE . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.491 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.43 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.95 HD23 HG22 ' B' ' 7' ' ' THR . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 1.025 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.523 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.562 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.593 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.756 0.312 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.914 HG13 HG11 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.451 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 272' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.553 ' HD2' HG22 ' B' ' 12' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.542 HG22 HD22 ' B' ' 69' ' ' LEU . 81.3 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.458 HD12 HG13 ' B' ' 17' ' ' VAL . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.54 HG11 HG13 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.637 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.681 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 41.1 m-20 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.54 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.69 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 40' ' ' GLN . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HG3' ' OD1' ' B' ' 39' ' ' ASP . 84.5 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' B' ' 71' ' ' LEU . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.702 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.87 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HB3' HD11 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.87 ' HG3' HG12 ' B' ' 44' ' ' ILE . 21.1 mp0 -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.637 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.681 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.62 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.732 HD22 HD12 ' B' ' 61' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.732 HD12 HD22 ' B' ' 56' ' ' LEU . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' B' ' 65' ' ' SER . 30.8 mm100 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.469 ' H ' HG22 ' B' ' 3' ' ' ILE . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 266' ' ' ALA . 39.8 m80 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 HG22 ' B' ' 7' ' ' THR . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.914 HG11 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' B' ' 41' ' ' GLN . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.593 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.633 0.254 . . . . 0.0 111.49 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 261' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.955 HG13 HG11 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 264' ' ' ARG . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.45 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' B' ' 67' ' ' LEU . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.509 ' HD2' HG22 ' B' ' 12' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 78.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.41 HD13 ' NZ ' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.453 HD21 HG13 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 26' ' ' VAL . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.475 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.722 ' HE3' HD23 ' B' ' 43' ' ' LEU . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' NZ ' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.528 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.621 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 11.8 tp-100 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' B' ' 69' ' ' LEU . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.889 ' HB3' HD12 ' B' ' 50' ' ' LEU . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.548 HD11 HG23 ' A' ' 263' ' ' ILE . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.889 HD12 ' HB3' ' B' ' 43' ' ' LEU . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.702 HD22 HD12 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.955 HG11 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.494 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 262' ' ' LEU . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.99 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.828 HG23 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 271' ' ' LEU . . . . . 0.593 HD21 ' HA3' ' B' ' 47' ' ' GLY . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.672 HD12 HD11 ' B' ' 67' ' ' LEU . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.651 ' HB2' HG22 ' B' ' 12' ' ' THR . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.731 ' HE3' HD11 ' B' ' 13' ' ' ILE . 63.8 tttp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.651 HG22 ' HB2' ' B' ' 6' ' ' LYS . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.731 HD11 ' HE3' ' B' ' 11' ' ' LYS . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.686 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG13 ' B' ' 26' ' ' VAL . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.701 HG13 HG11 ' B' ' 17' ' ' VAL . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.686 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.505 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 14.2 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.617 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.703 ' HB3' HD11 ' B' ' 50' ' ' LEU . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.828 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' H ' HG12 ' B' ' 23' ' ' ILE . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.554 HD12 HD22 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.55 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.55 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.672 HD11 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.655 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.638 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.99 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 50.7 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 259' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 260' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 70' ' ' VAL . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 263' ' ' ILE . . . . . 0.919 ' HA ' HG21 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 264' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 265' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 266' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 267' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 269' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.657 HD12 HD11 ' B' ' 67' ' ' LEU . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CB ' HG22 ' B' ' 66' ' ' THR . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.668 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 1.069 HG21 HG22 ' B' ' 26' ' ' VAL . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.63 HG21 ' O ' ' B' ' 51' ' ' GLU . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 46.6 m-20 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 1.069 HG22 HG21 ' B' ' 17' ' ' VAL . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.668 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.5 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.529 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.579 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 263' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' B' ' 50' ' ' LEU . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.63 ' O ' HG21 ' B' ' 23' ' ' ILE . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.447 HG22 ' CB ' ' B' ' 4' ' ' PHE . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.657 HD11 HD12 ' B' ' 3' ' ' ILE . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.666 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.71 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.919 HG21 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OE2' ' A' ' 259' ' ' GLU . 39.0 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.551 0.215 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.17 47.98 2.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.769 2.312 . . . . 0.0 112.551 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -145.11 52.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.768 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.6 p30 -55.06 -31.97 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.239 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' B' ' 73' ' ' LEU . 40.0 tp10 -65.23 -48.76 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.425 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.592 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 1.027 HG13 HG11 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.917 HG23 ' HA2' ' B' ' 47' ' ' GLY . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm -58.41 -46.27 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.83 -48.72 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 58.9 m -80.25 41.96 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 275' ' ' ARG . 20.1 ptt-85 -64.57 -45.03 88.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -79.97 42.22 0.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 85.5 p 48.71 41.44 17.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HD2' ' HB ' ' B' ' 12' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.2 p -79.45 143.36 35.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.591 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.0 tm? -49.83 -37.32 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 6.8 t -61.43 -41.67 97.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.68 65.06 0.11 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.883 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -154.0 116.13 4.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.628 HG11 HG22 ' B' ' 26' ' ' VAL . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.466 HD12 HD23 ' B' ' 50' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.628 HG22 HG11 ' B' ' 17' ' ' VAL . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.515 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' B' ' 71' ' ' LEU . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.868 ' HD2' HD11 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.931 HD11 HG12 ' A' ' 263' ' ' ILE . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.719 ' HG3' HG12 ' B' ' 44' ' ' ILE . 23.0 mp0 -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.466 HD23 HD12 ' B' ' 23' ' ' ILE . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.638 HD22 HD12 ' B' ' 61' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.638 HD12 HD22 ' B' ' 56' ' ' LEU . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 49.7 mm-40 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.604 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.604 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.743 HD13 ' N ' ' B' ' 70' ' ' VAL . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.027 HG11 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' B' ' 41' ' ' GLN . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 -61.99 132.18 52.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 259' ' ' GLU . 52.1 tp -68.83 137.81 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -60.78 139.45 57.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.37 -39.91 93.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.64 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.662 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.94 38.96 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 112.833 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.61 135.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.063 0.458 . . . . 0.0 111.711 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -63.7 -32.26 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.638 ' HB2' ' HG ' ' B' ' 73' ' ' LEU . 34.9 tt0 -57.78 -49.37 76.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.529 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.734 HD22 HG13 ' B' ' 70' ' ' VAL . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 1.042 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.529 ' HE ' ' HA ' ' A' ' 261' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 263' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.567 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp -57.41 -44.03 84.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.1 -47.7 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 77.4 p -81.92 47.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.914 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -55.28 129.69 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 56.9 -127.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.165 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.1 m -69.76 -140.52 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.611 0.243 . . . . 0.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.276 179.819 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.625 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -74.05 -151.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 262' ' ' LEU . 92.3 mt -59.17 -63.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.9 p -153.42 54.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.729 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.97 -109.01 0.34 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.733 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt -48.45 135.49 14.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.757 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.611 HG11 HG13 ' B' ' 26' ' ' VAL . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.611 HG13 HG11 ' B' ' 17' ' ' VAL . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.81 ' HZ1' ' HG ' ' B' ' 43' ' ' LEU . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.757 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.487 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.777 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.591 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 83.4 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.697 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.81 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.567 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.598 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.725 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.739 HD22 HD12 ' B' ' 61' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.739 HD12 HD22 ' B' ' 56' ' ' LEU . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.54 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.654 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 -78.9 132.13 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.638 ' HG ' ' HB2' ' A' ' 259' ' ' GLU . 93.8 mt -72.95 138.2 45.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.761 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -173.28 130.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.37 131.29 41.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.486 0.184 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.83 146.32 56.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.339 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 260' ' ' GLU . 0.3 OUTLIER -151.64 128.84 11.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.023 0.44 . . . . 0.0 111.042 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -96.54 -45.42 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.496 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER -57.2 -39.28 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.006 -178.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 257' ' ' GLU . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.565 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.874 HG12 HD11 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.3 mmtp -59.64 -43.74 93.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.23 -46.88 84.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.742 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 276' ' ' ASN . 80.8 p -77.41 68.86 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.06 34.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.528 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 276' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 274' ' ' SER . 15.3 p-10 -82.55 45.55 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 53.6 m 57.25 38.69 28.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.549 HD12 HD12 ' B' ' 67' ' ' LEU . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.528 ' HD1' HG22 ' B' ' 12' ' ' THR . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p -119.94 156.11 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD12 ' A' ' 262' ' ' LEU . 3.9 mm? -75.04 43.62 0.21 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.55 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -149.57 33.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 49.56 70.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.74 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.605 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm -129.95 136.29 49.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' B' ' 34' ' ' GLU . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.569 HD22 HG13 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' HD23 ' B' ' 15' ' ' LEU . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.664 HG11 HG22 ' B' ' 26' ' ' VAL . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.648 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.55 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.565 HD12 HD13 ' B' ' 50' ' ' LEU . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.664 HG22 HG11 ' B' ' 17' ' ' VAL . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 65.9 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' B' ' 13' ' ' ILE . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.941 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.637 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.565 HD13 HD12 ' B' ' 23' ' ' ILE . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.55 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 0.3 OUTLIER 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' B' ' 65' ' ' SER . 85.5 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.549 HD12 HD12 ' B' ' 3' ' ' ILE . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.531 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.84 HG21 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.637 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 -76.78 47.34 0.5 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 tp 64.4 131.91 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.988 0.423 . . . . 0.0 111.31 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtm105 -62.57 -43.4 98.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 137.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.511 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.534 0.207 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.81 131.42 22.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.399 2.066 . . . . 0.0 112.23 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.462 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 67.9 mm-40 -66.47 128.83 37.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.72 -44.66 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 73' ' ' LEU . 80.8 tt0 -63.92 -49.65 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.61 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 1.043 HD23 HG13 ' B' ' 70' ' ' VAL . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 267' ' ' ILE . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.501 ' HG3' HD21 ' B' ' 8' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.579 ' HB2' HD23 ' B' ' 8' ' ' LEU . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 264' ' ' ARG . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.423 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? -61.95 -40.72 96.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.75 -49.57 77.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 277' ' ' SER . 26.9 t -84.51 55.46 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.732 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -47.14 134.16 11.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.746 -179.713 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 57.09 42.68 25.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 277' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 274' ' ' SER . 79.7 p -65.88 -47.45 74.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.06 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.6 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.639 HD12 HD11 ' B' ' 67' ' ' LEU . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HE2' HG21 ' B' ' 66' ' ' THR . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.421 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 29.6 p -75.46 145.21 41.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.0 tm? -47.66 -34.04 7.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.411 HG23 ' N ' ' B' ' 10' ' ' GLY . 5.1 t -62.82 -49.34 75.3 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.411 ' N ' HG23 ' B' ' 9' ' ' THR . . . 163.21 -35.86 0.32 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' B' ' 13' ' ' ILE . 53.2 tptt -45.93 142.43 2.63 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.558 ' C ' HD12 ' B' ' 13' ' ' ILE . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.689 HD11 ' HE3' ' B' ' 11' ' ' LYS . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.597 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG22 ' B' ' 26' ' ' VAL . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.53 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.636 HG22 HG11 ' B' ' 17' ' ' VAL . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.597 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.4 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 69' ' ' LEU . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.607 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' B' ' 42' ' ' ARG . 7.2 pm0 -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' LEU . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.53 ' O ' HG21 ' B' ' 23' ' ' ILE . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.452 HD22 HD12 ' B' ' 61' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.452 HD12 HD22 ' B' ' 56' ' ' LEU . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.722 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.722 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.639 HD11 HD12 ' B' ' 3' ' ' ILE . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' B' ' 41' ' ' GLN . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.043 HG13 HD23 ' A' ' 262' ' ' LEU . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -62.21 119.78 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.64 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 15.6 tp 49.52 -135.37 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.64 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 3.8 mmp_? 55.53 39.89 31.08 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.904 0.383 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.18 132.63 48.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.79 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.539 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.584 0.231 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 17.5 Cg_exo -66.27 -134.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.821 2.347 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 260' ' ' GLU . 64.5 mm-40 58.99 58.23 3.25 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 261' ' ' GLU . 54.8 m-20 -59.85 -26.16 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.29 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 -61.29 -51.38 69.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 257' ' ' GLU . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.585 ' HG3' ' NH2' ' A' ' 264' ' ' ARG . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.463 ' HG ' HD13 ' B' ' 8' ' ' LEU . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.887 HG13 HG11 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.585 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.69 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt -59.76 -45.92 90.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -62.67 -54.85 33.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.6 t -86.55 39.34 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.516 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -68.57 -48.86 63.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.314 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -62.36 -46.56 88.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 55.6 m -80.58 41.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.154 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' B' ' 1' ' ' MET . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' B' ' 12' ' ' THR . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -79.98 156.9 26.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.509 HD21 HG22 ' B' ' 70' ' ' VAL . 91.7 mt -45.33 -36.98 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.4 p -62.72 -48.79 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.628 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.27 -29.9 1.08 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.792 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt -45.22 139.45 3.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' B' ' 4' ' ' PHE . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.752 HG11 HG13 ' B' ' 26' ' ' VAL . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.752 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.765 ' HE3' HD13 ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.597 ' HD2' HG12 ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.445 HG12 ' HG ' ' B' ' 15' ' ' LEU . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 84.5 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.564 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 267' ' ' ILE . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 3.9 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' B' ' 43' ' ' LEU . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.606 HD22 HD12 ' B' ' 61' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.606 HD12 HD22 ' B' ' 56' ' ' LEU . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.592 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.431 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 39.7 m80 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.694 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.887 HG11 HG13 ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 -70.28 116.31 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.19 131.94 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' B' ' 74' ' ' ARG . 4.1 tmm_? -176.72 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.184 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.61 -136.66 2.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.575 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.12 138.82 63.69 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.125 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 66.47 135.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.7 p30 -74.68 13.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.675 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.733 ' HG3' HD22 ' A' ' 262' ' ' LEU . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.748 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.716 HG13 HG11 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 3.9 mmmp? -55.95 -48.92 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.81 -46.91 67.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.3 p -79.76 55.66 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -51.97 133.97 32.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 58.34 45.7 16.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 57.8 m 57.67 -143.98 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.137 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.423 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.58 HD12 HD12 ' B' ' 67' ' ' LEU . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.756 HG22 HD22 ' B' ' 69' ' ' LEU . 59.7 p -87.09 125.99 34.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp 51.87 -103.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.9 m -153.46 58.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.32 -59.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.51 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp -81.24 118.69 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.998 0.399 . . . . 0.0 111.067 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 15' ' ' LEU . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 26' ' ' VAL . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 56' ' ' LEU . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 50' ' ' LEU . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.479 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.883 HG22 HG21 ' B' ' 17' ' ' VAL . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.471 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.471 HD13 ' O ' ' B' ' 35' ' ' GLY . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 263' ' ' ILE . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 263' ' ' ILE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 23' ' ' ILE . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.736 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.736 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.629 HD22 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.629 HD12 HD22 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.624 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.445 ' O ' HD23 ' B' ' 67' ' ' LEU . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.582 ' O ' HD12 ' B' ' 43' ' ' LEU . 39.8 m80 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.748 HG13 ' HB3' ' A' ' 262' ' ' LEU . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 -56.05 115.34 2.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 tp 61.28 133.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.505 ' HG3' ' OD1' ' A' ' 258' ' ' ASP . 24.9 mtm105 -60.68 134.29 56.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.07 45.78 2.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.716 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.66 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 256' ' ' PRO . 34.8 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.533 0.206 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 255' ' ' TYR . 30.8 Cg_endo -64.12 134.43 42.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.558 2.172 . . . . 0.0 112.399 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.466 ' OE2' HD22 ' B' ' 73' ' ' LEU . 5.6 tp10 -64.73 132.28 49.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.79 -38.45 70.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 -59.92 -45.97 90.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' B' ' 8' ' ' LEU . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.868 HG13 HG11 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.474 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 273' ' ' GLU . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.614 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.47 -44.26 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 269' ' ' LEU . 95.8 mt-10 -58.13 -43.34 87.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 66.4 m -64.74 128.73 37.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.2 -39.55 40.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 276' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 277' ' ' SER . 5.6 m120 -55.39 -47.66 75.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 276' ' ' ASN . 53.2 m 74.0 -43.43 0.54 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.584 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.262 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.551 HD13 HG21 ' B' ' 17' ' ' VAL . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD22 ' B' ' 69' ' ' LEU . 66.5 p -88.58 150.53 23.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 262' ' ' LEU . 3.8 mm? -75.24 53.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.348 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -152.3 -46.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.281 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.32 59.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.214 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp -159.98 141.52 12.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.999 0.4 . . . . 0.0 111.683 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 12' ' ' THR . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.645 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.579 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.463 HD12 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.733 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.614 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.536 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.463 HD13 HD12 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.627 HD22 HD12 ' B' ' 61' ' ' ILE . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 54' ' ' ARG . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.627 HD12 HD22 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' B' ' 65' ' ' SER . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' B' ' 62' ' ' GLN . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.432 HD12 HD12 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.667 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 41.3 m80 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.53 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 -57.35 144.21 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.466 HD22 ' OE2' ' A' ' 257' ' ' GLU . 60.8 tp -48.35 137.02 11.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -54.94 -47.53 74.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.61 134.89 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.677 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.593 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.35 137.33 50.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.686 2.257 . . . . 0.0 112.538 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.9 131.63 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -66.03 -37.82 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.448 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 0.3 OUTLIER -60.97 -49.43 77.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.755 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 263' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm -62.56 -41.44 98.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.12 -52.57 62.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 48.8 m -64.33 -44.96 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.521 ' HG2' ' H ' ' A' ' 276' ' ' ASN . 32.7 ttt85 58.12 -133.15 1.15 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.186 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' ASN . . . . . 0.521 ' H ' ' HG2' ' A' ' 275' ' ' ARG . 37.0 m-20 -71.06 -53.89 13.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.282 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 34.9 t -179.3 44.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.703 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.097 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 17' ' ' VAL . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -100.38 148.37 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.755 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 4.4 mm? -51.5 -34.55 36.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.042 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p -61.78 -50.04 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.15 58.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.805 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -149.71 128.35 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.482 HG11 HG13 ' B' ' 26' ' ' VAL . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.62 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.688 HG21 ' O ' ' B' ' 51' ' ' GLU . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.482 HG13 HG11 ' B' ' 17' ' ' VAL . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.603 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.584 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.797 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.43 ' OE1' HG12 ' B' ' 44' ' ' ILE . 49.6 mm-40 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.688 ' O ' HG21 ' B' ' 23' ' ' ILE . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.511 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.62 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.679 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.947 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 79.7 ttt180 -94.03 136.67 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 259' ' ' GLU . 95.5 mt -59.91 137.03 58.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 66.06 135.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.108 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.09 135.46 2.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.544 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.585 0.231 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.767 ' HB2' ' HB2' ' A' ' 260' ' ' GLU . 25.3 Cg_endo -61.83 138.13 72.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.536 2.157 . . . . 0.0 112.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -144.61 -64.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -75.6 -40.64 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.465 ' OE1' HD13 ' B' ' 73' ' ' LEU . 42.1 mp0 -72.19 -37.59 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.07 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.767 ' HB2' ' HB2' ' A' ' 256' ' ' PRO . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.873 HD21 ' HG ' ' B' ' 8' ' ' LEU . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.961 HG13 HG11 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.7 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.791 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.644 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.04 -49.03 74.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.89 -51.56 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.7 ' HA ' ' HB3' ' A' ' 278' ' ' ALA . 46.9 t -84.12 48.03 1.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 275' ' ' ARG . 40.7 ttt85 -62.69 -46.64 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -175.63 53.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.595 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 41.5 t -172.61 -49.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 274' ' ' SER . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.252 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.63 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.473 HD11 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.2 p -82.26 140.61 33.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.873 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.6 tm? -50.75 -36.23 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.37 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.8 p -61.13 -50.35 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 55.3 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.212 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -158.76 117.16 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.547 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.63 HD12 HG23 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.63 HG23 HD12 ' B' ' 15' ' ' LEU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.717 HG21 ' O ' ' B' ' 51' ' ' GLU . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.818 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 17.7 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.567 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.818 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.544 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.603 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.791 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.717 ' O ' HG21 ' B' ' 23' ' ' ILE . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.535 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD22 HD12 ' B' ' 61' ' ' ILE . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.425 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.517 HD12 HD22 ' B' ' 56' ' ' LEU . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.405 ' C ' HD12 ' B' ' 67' ' ' LEU . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.626 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.961 HG11 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HD3' ' HE ' ' B' ' 42' ' ' ARG . 35.0 tpt85 -66.6 142.2 57.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.3 tp -56.9 136.67 55.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.858 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 37.0 mmt180 61.18 -127.39 0.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.28 -134.36 39.37 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 2.4 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 7.4 Cg_exo -74.28 51.0 2.4 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.208 2.605 . . . . 0.0 112.868 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 50.9 mt-10 -146.4 45.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.075 0.464 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' B' ' 73' ' ' LEU . 24.7 m-20 -63.79 -20.98 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -59.73 -49.12 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.668 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 257' ' ' GLU . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.678 HD12 HG13 ' B' ' 70' ' ' VAL . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 1.04 HG13 HG11 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.562 ' HE3' HD22 ' A' ' 262' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 269' ' ' LEU . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.671 HG23 ' HA2' ' B' ' 47' ' ' GLY . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm -60.25 -44.22 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -62.34 -47.76 82.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 90.3 p -59.8 -39.35 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' A' ' 277' ' ' SER . 29.9 tpt180 65.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.563 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 6.3 m120 53.76 46.82 25.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.863 0.364 . . . . 0.0 110.642 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' A' ' 275' ' ' ARG . 63.9 m 60.12 45.13 12.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.136 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' B' ' 1' ' ' MET . 0.0 OUTLIER -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.629 HG22 HD22 ' B' ' 69' ' ' LEU . 43.1 p -78.83 144.67 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.557 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.2 tm? -47.19 -36.95 9.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.198 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -63.59 -44.52 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.59 58.25 0.08 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.052 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -151.31 112.44 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.547 HG22 ' HB2' ' B' ' 6' ' ' LYS . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.466 HD12 ' OE2' ' B' ' 34' ' ' GLU . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.546 HD12 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG13 ' B' ' 26' ' ' VAL . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.574 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.636 HG13 HG11 ' B' ' 17' ' ' VAL . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.751 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.548 HG22 HE22 ' B' ' 41' ' ' GLN . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE2' HD12 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.751 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 30' ' ' ILE . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.557 HD11 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.765 HD11 HD23 ' B' ' 67' ' ' LEU . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.574 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.533 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.603 HD22 HD12 ' B' ' 61' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.603 HD12 HD22 ' B' ' 56' ' ' LEU . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.466 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.602 ' C ' HD12 ' B' ' 67' ' ' LEU . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.765 HD23 HD11 ' B' ' 50' ' ' LEU . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.629 HD22 HG22 ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.04 HG11 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -73.25 136.57 44.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 258' ' ' ASP . 6.9 mp -63.65 127.06 29.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -76.9 -42.9 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.07 -42.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.526 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 24.9 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.746 0.308 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.45 131.51 32.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.3 2.0 . . . . 0.0 112.074 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.15 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.845 ' HB2' HD11 ' B' ' 73' ' ' LEU . 1.5 m-20 -60.32 -40.87 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.53 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.5 -48.03 83.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.509 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.858 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.993 HG13 HG11 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.61 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt -56.85 -43.8 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.85 -51.05 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 278' ' ' ALA . 52.5 m -85.99 39.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -70.01 -42.66 72.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -169.34 135.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 39.6 t 59.77 44.4 14.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 274' ' ' SER . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.677 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.681 HG22 HD22 ' B' ' 69' ' ' LEU . 82.0 p -94.23 155.68 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.853 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.2 mm? -52.39 -38.12 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.967 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -61.85 -46.16 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.981 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.23 62.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.591 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.716 ' HE3' HD11 ' B' ' 13' ' ' ILE . 60.9 tttp -149.1 120.31 7.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.653 HG22 ' HB3' ' B' ' 6' ' ' LYS . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.716 HD11 ' HE3' ' B' ' 11' ' ' LYS . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.582 HD12 HG13 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.469 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG13 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.47 ' HB3' ' HB3' ' B' ' 21' ' ' ASP . 16.1 t-20 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.711 HG13 HG11 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.859 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.433 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.809 HD11 HG12 ' A' ' 263' ' ' ILE . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' B' ' 44' ' ' ILE . 4.0 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.553 ' O ' HG21 ' B' ' 23' ' ' ILE . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.644 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.522 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.681 HD22 HG22 ' B' ' 7' ' ' THR . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 -69.6 137.42 52.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 258' ' ' ASP . 96.3 mt -61.52 134.44 56.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -61.48 131.65 50.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.57 97.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.564 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 1.9 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.567 0.222 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 31.4 Cg_exo -59.5 133.53 52.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.52 2.147 . . . . 0.0 112.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.634 ' HB2' ' HG3' ' A' ' 260' ' ' GLU . 56.6 mt-10 -65.04 140.08 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.58 -42.18 78.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.613 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 -58.29 -42.62 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.092 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 257' ' ' GLU . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.894 HD21 ' HG ' ' B' ' 8' ' ' LEU . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.834 HG13 HG11 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.506 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 263' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.771 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER -61.61 -42.93 99.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.24 -43.4 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 275' ' ' ARG . 55.7 m -57.44 -40.21 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 274' ' ' SER . 56.6 ttp180 74.5 -41.9 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.31 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -70.06 -137.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.773 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 45.4 t -171.03 48.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.964 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 23.7 mp0 -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 67' ' ' LEU . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.524 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p -78.98 144.25 34.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.894 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.6 tm? -48.6 -37.34 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -61.68 -47.66 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.94 63.16 0.06 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.869 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -155.82 117.71 4.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' ILE . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.435 HD13 ' O ' ' B' ' 12' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 17' ' ' VAL . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.593 HG11 HG13 ' B' ' 26' ' ' VAL . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.496 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 16.4 t-20 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.593 HG13 HG11 ' B' ' 17' ' ' VAL . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.835 ' HE3' HD23 ' B' ' 43' ' ' LEU . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.421 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 16.0 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.452 ' NE2' HH21 ' B' ' 72' ' ' ARG . 45.9 mm-40 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.966 ' HB2' HD11 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.835 HD23 ' HE3' ' B' ' 27' ' ' LYS . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 23' ' ' ILE . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.489 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 3' ' ' ILE . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.966 HD11 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.834 HG11 HG13 ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.613 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 -71.49 106.22 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.558 HD13 ' HG2' ' B' ' 72' ' ' ARG . 7.9 mp 60.39 128.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.127 0.489 . . . . 0.0 111.323 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' B' ' 75' ' ' GLY . 0.0 OUTLIER -173.76 131.17 0.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.602 ' N ' ' HD3' ' B' ' 74' ' ' ARG . . . 59.43 -135.09 51.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.648 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.439 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.02 139.98 87.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -166.49 134.67 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.04 -34.33 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -57.32 -42.16 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.38 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.954 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.672 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.672 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' B' ' 47' ' ' GLY . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.26 -42.84 78.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -61.05 -38.64 86.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.646 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.8 t -77.31 54.65 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.6 -48.71 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.012 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -156.56 39.3 0.33 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 79.6 p -70.58 -45.15 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.167 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.614 HD12 ' CD1' ' B' ' 67' ' ' LEU . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' CG2' ' B' ' 66' ' ' THR . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.1 p -112.75 141.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.638 HD21 HG22 ' B' ' 70' ' ' VAL . 4.2 mm? -51.77 -31.42 26.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -61.51 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.1 53.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.671 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -142.24 134.67 27.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.479 HD13 ' O ' ' B' ' 12' ' ' THR . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.499 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.47 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.499 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.489 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.478 ' OE2' HG21 ' B' ' 13' ' ' ILE . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.596 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.503 ' HB3' ' HB2' ' B' ' 37' ' ' PRO . 16.9 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.489 HD11 HG23 ' A' ' 263' ' ' ILE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.559 ' O ' HG21 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD22 HD12 ' B' ' 61' ' ' ILE . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.532 HD12 HD22 ' B' ' 56' ' ' LEU . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' B' ' 65' ' ' SER . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.614 ' CD1' HD12 ' B' ' 3' ' ' ILE . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.526 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.954 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.901 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 57.7 ttp180 -63.6 140.15 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.503 HD22 ' O ' ' B' ' 71' ' ' LEU . 2.0 pt? -167.75 133.66 2.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.748 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 74' ' ' ARG . 40.7 mmt-85 -68.95 -44.12 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.76 -41.28 2.13 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.619 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.577 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' A' ' 257' ' ' GLU . 57.8 Cg_endo -69.47 -141.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.341 2.028 . . . . 0.0 112.465 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.437 ' H ' ' HB2' ' A' ' 256' ' ' PRO . 93.6 mt-10 55.54 41.0 31.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.417 ' O ' HD23 ' A' ' 262' ' ' LEU . 52.3 p-10 -78.59 13.26 1.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.237 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.42 -44.36 92.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 258' ' ' ASP . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.847 ' HA ' HG21 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 267' ' ' ILE . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.409 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.542 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp -58.69 -44.73 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.8 98.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 274' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 277' ' ' SER . 68.3 m -78.55 51.23 1.04 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.304 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.52 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -59.57 -48.79 80.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.467 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -64.1 -45.69 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 277' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' A' ' 274' ' ' SER . 48.7 m -79.97 42.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.141 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.634 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.546 HG23 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -88.93 152.75 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.523 HD11 HG13 ' B' ' 70' ' ' VAL . 97.1 mt -49.93 -41.13 45.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 p -61.5 -49.83 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.23 67.89 0.07 OUTLIER Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.731 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -149.99 127.86 11.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD21 HG13 ' B' ' 26' ' ' VAL . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.428 HD11 HD12 ' B' ' 50' ' ' LEU . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.83 ' HE2' HD23 ' B' ' 43' ' ' LEU . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' B' ' 69' ' ' LEU . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.83 HD23 ' HE2' ' B' ' 27' ' ' LYS . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HG23 ' A' ' 263' ' ' ILE . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.542 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD21 HD13 ' B' ' 23' ' ' ILE . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.42 ' HB ' ' HE1' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.62 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.847 HG21 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 -72.11 138.92 48.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.662 ' O ' HD12 ' B' ' 73' ' ' LEU . 4.1 pp -167.28 137.06 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.154 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -75.58 -142.49 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.656 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.07 42.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.378 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.45 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.68 134.63 54.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.512 2.141 . . . . 0.0 112.245 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.571 ' HB2' ' OE1' ' A' ' 259' ' ' GLU . 0.9 OUTLIER -61.31 135.94 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.423 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -92.56 13.59 19.38 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' B' ' 73' ' ' LEU . 6.3 mp0 -71.44 -46.18 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' A' ' 257' ' ' GLU . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.791 HD23 HG13 ' B' ' 70' ' ' VAL . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.964 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.677 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.677 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' B' ' 8' ' ' LEU . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.621 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.501 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 273' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -54.43 -52.37 62.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.963 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 47.2 t -68.68 127.51 33.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.528 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -76.64 -55.3 5.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.445 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -70.32 -59.5 2.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 46.4 t -179.39 136.94 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG22 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p -91.08 148.26 22.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 266' ' ' ALA . 91.4 mt -75.54 50.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.284 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.6 -48.99 0.17 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.25 61.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.3 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm -158.14 133.56 8.84 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.087 0.444 . . . . 0.0 111.729 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' B' ' 34' ' ' GLU . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.54 ' N ' HD13 ' B' ' 15' ' ' LEU . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.605 HG11 HG22 ' B' ' 26' ' ' VAL . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.605 HG22 HG11 ' B' ' 17' ' ' VAL . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HE2' HD23 ' B' ' 43' ' ' LEU . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' B' ' 13' ' ' ILE . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.625 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.641 HD23 ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.47 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 278' ' ' ALA . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.47 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 0.1 OUTLIER -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' B' ' 43' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.73 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.64 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.533 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 -72.92 73.02 1.13 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 259' ' ' GLU . 6.5 mp 66.82 132.47 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -61.71 133.91 56.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.2 133.64 42.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.411 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.452 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.576 0.227 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.7 134.48 35.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.131 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 257' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 260' ' ' GLU . 5.4 tp10 -63.27 136.25 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.98 -40.87 95.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' B' ' 73' ' ' LEU . 3.9 tm-20 -57.68 -45.67 85.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.494 ' HG2' ' HB3' ' A' ' 257' ' ' GLU . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.937 HD13 HD13 ' B' ' 8' ' ' LEU . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 1.025 ' HA ' HG21 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.634 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 264' ' ' ARG . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 268' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt -56.28 -45.95 79.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -68.51 -44.06 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 52.9 m -78.49 58.67 2.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 275' ' ' ARG . 5.5 tmm_? -54.05 -39.44 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -168.75 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.782 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 50.6 m -160.23 49.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.987 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 HD22 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.511 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.95 HG22 HD23 ' B' ' 69' ' ' LEU . 77.1 p -92.96 -158.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 262' ' ' LEU . 84.6 mt -86.18 -38.53 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.185 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -76.38 34.91 0.14 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.834 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.429 ' HA2' ' CE ' ' B' ' 6' ' ' LYS . . . 51.36 36.17 36.95 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.975 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt -97.65 138.14 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.641 HG11 HG22 ' B' ' 26' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.516 HG21 ' O ' ' B' ' 51' ' ' GLU . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.641 HG22 HG11 ' B' ' 17' ' ' VAL . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.611 ' HE3' HD22 ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 63.4 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE2' HG23 ' B' ' 30' ' ' ILE . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.924 ' HB3' HD11 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.599 ' O ' HD12 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.899 ' HG ' HD12 ' B' ' 50' ' ' LEU . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.547 HG12 ' OE1' ' B' ' 49' ' ' GLN . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' B' ' 50' ' ' LEU . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.425 ' HA3' ' CD2' ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.899 HD12 ' HG ' ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.516 ' O ' HG21 ' B' ' 23' ' ' ILE . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.491 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.95 HD23 HG22 ' B' ' 7' ' ' THR . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 1.025 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.523 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.562 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 -59.32 107.23 0.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.599 HD12 ' HG3' ' A' ' 259' ' ' GLU . 4.9 mp 47.44 -135.0 1.02 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.248 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -175.41 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.856 0.36 . . . . 0.0 110.493 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.82 43.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.453 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.473 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.701 0.286 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 132.44 21.82 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.581 2.188 . . . . 0.0 112.26 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.53 132.86 49.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.645 ' HB3' HD11 ' B' ' 73' ' ' LEU . 33.9 t70 -66.77 -44.05 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.593 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 -59.52 -42.42 92.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.59 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.914 HG13 HG11 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.451 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 272' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? -58.7 -45.92 88.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.57 -46.74 84.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 81.0 p -78.73 57.77 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.355 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.48 -42.7 67.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -172.92 135.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 59.3 m -161.29 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.019 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.553 ' HD2' HG22 ' B' ' 12' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.447 ' NZ ' ' HA2' ' B' ' 10' ' ' GLY . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.542 HG22 HD22 ' B' ' 69' ' ' LEU . 81.3 p -89.33 -152.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.59 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 3.5 mm? -92.37 -41.08 10.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.5 m -61.59 -50.31 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.54 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' B' ' 6' ' ' LYS . . . 157.46 -27.17 0.48 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.773 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -47.9 138.11 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.458 HD12 HG13 ' B' ' 17' ' ' VAL . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.54 HG11 HG13 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.637 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.681 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 41.1 m-20 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.54 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.69 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 40' ' ' GLN . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HG3' ' OD1' ' B' ' 39' ' ' ASP . 26.1 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' B' ' 71' ' ' LEU . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.702 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.87 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HB3' HD11 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.87 ' HG3' HG12 ' B' ' 44' ' ' ILE . 21.1 mp0 -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.637 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.681 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.62 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.732 HD22 HD12 ' B' ' 61' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.732 HD12 HD22 ' B' ' 56' ' ' LEU . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' B' ' 65' ' ' SER . 30.8 mm100 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.469 ' H ' HG22 ' B' ' 3' ' ' ILE . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 266' ' ' ALA . 39.8 m80 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 HG22 ' B' ' 7' ' ' THR . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.914 HG11 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' B' ' 41' ' ' GLN . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.593 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER -60.0 135.45 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 258' ' ' ASP . 87.0 mt -61.36 134.63 57.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 74' ' ' ARG . 69.0 mtt-85 65.43 133.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.35 -42.7 0.07 OUTLIER Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.613 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 39.0 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.492 0.187 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 24.8 Cg_exo -63.26 135.69 51.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.578 2.185 . . . . 0.0 112.01 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.27 143.64 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' ASP . . . . . 0.432 ' HA ' ' OE1' ' A' ' 261' ' ' GLU . 58.7 t0 -52.56 -26.52 13.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.015 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 -57.43 -43.17 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.49 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' B' ' 8' ' ' LEU . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.955 HG13 HG11 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 264' ' ' ARG . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.45 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.64 -43.35 89.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.82 -47.0 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.279 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.6 p -59.13 -39.24 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 275' ' ' ARG . 5.0 tpm_? 63.5 57.52 1.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.04 135.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.573 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.2 m 63.85 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.334 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.982 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' B' ' 67' ' ' LEU . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.509 ' HD2' HG22 ' B' ' 12' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 78.1 p -79.9 -151.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 262' ' ' LEU . 87.2 mt -131.78 47.82 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.204 0.526 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -152.71 -43.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.24 60.63 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.127 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt -157.18 135.3 11.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.41 HD13 ' NZ ' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.453 HD21 HG13 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 26' ' ' VAL . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.475 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.722 ' HE3' HD23 ' B' ' 43' ' ' LEU . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' NZ ' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.528 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.621 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 11.8 tp-100 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' B' ' 69' ' ' LEU . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.889 ' HB3' HD12 ' B' ' 50' ' ' LEU . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.548 HD11 HG23 ' A' ' 263' ' ' ILE . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.889 HD12 ' HB3' ' B' ' 43' ' ' LEU . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.702 HD22 HD12 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.955 HG11 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.494 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 -57.8 140.46 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.02 132.76 54.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.8 ttt-85 -173.05 -44.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.772 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.17 -133.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.768 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.295 -1.281 . . . . 0.0 112.76 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 3.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.622 0.248 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 39.3 Cg_exo -56.8 141.65 92.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.631 2.221 . . . . 0.0 112.074 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -52.51 134.7 34.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -60.16 -36.37 77.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.299 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.84 -36.6 81.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 8' ' ' LEU . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.99 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.828 HG23 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 271' ' ' LEU . . . . . 0.593 HD21 ' HA3' ' B' ' 47' ' ' GLY . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.86 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -38.73 92.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 83.6 p -76.89 56.54 1.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -56.49 -43.84 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -172.61 -43.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 70.5 m -162.12 45.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.76 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.141 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.672 HD12 HD11 ' B' ' 67' ' ' LEU . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.651 ' HB2' HG22 ' B' ' 12' ' ' THR . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -86.5 146.53 26.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.89 HD21 HG22 ' B' ' 70' ' ' VAL . 93.7 mt -47.86 -36.41 11.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -61.78 -49.18 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.7 59.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.731 ' HE3' HD11 ' B' ' 13' ' ' ILE . 63.8 tttp -151.39 116.25 5.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.651 HG22 ' HB2' ' B' ' 6' ' ' LYS . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.731 HD11 ' HE3' ' B' ' 11' ' ' LYS . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.686 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG13 ' B' ' 26' ' ' VAL . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.701 HG13 HG11 ' B' ' 17' ' ' VAL . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.686 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.505 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 14.2 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.617 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.703 ' HB3' HD11 ' B' ' 50' ' ' LEU . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.828 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' H ' HG12 ' B' ' 23' ' ' ILE . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.554 HD12 HD22 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.55 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.55 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.672 HD11 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.655 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.638 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.99 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 50.7 ttt-85 -72.31 141.25 48.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.8 mt -133.84 132.28 40.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -67.13 -43.64 81.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.32 47.0 91.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.639 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.492 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 255' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 26.9 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.519 0.199 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 256' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 32.0 Cg_exo -59.58 136.55 71.87 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.571 2.181 . . . . 0.0 112.457 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -59.32 137.0 58.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.716 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.95 -44.18 96.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 259' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 -64.33 -51.01 65.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.426 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 260' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.594 HD13 HD21 ' B' ' 8' ' ' LEU . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 263' ' ' ILE . . . . . 0.919 ' HA ' HG21 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 264' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 265' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 266' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 267' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 269' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.45 -39.46 93.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -34.86 72.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.552 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 40.8 t -156.77 121.63 4.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 275' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 275' ' ' ARG . 0.9 OUTLIER -72.46 -55.28 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.21 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -66.64 142.94 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 54.9 m -58.06 131.19 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.138 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.657 HD12 HD11 ' B' ' 67' ' ' LEU . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CB ' HG22 ' B' ' 66' ' ' THR . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.518 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.28 -152.53 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD21 HD13 ' A' ' 262' ' ' LEU . 6.9 mp -75.43 -56.14 5.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.893 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.5 m -62.08 -50.73 70.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.081 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 148.2 25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt -81.57 115.38 20.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.668 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 1.069 HG21 HG22 ' B' ' 26' ' ' VAL . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.63 HG21 ' O ' ' B' ' 51' ' ' GLU . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 46.6 m-20 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 1.069 HG22 HG21 ' B' ' 17' ' ' VAL . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.668 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.5 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.529 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.579 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 263' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' B' ' 50' ' ' LEU . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.63 ' O ' HG21 ' B' ' 23' ' ' ILE . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.447 HG22 ' CB ' ' B' ' 4' ' ' PHE . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.657 HD11 HD12 ' B' ' 3' ' ' ILE . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.666 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.71 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.919 HG21 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.693 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 39.0 ttm180 -71.31 129.95 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.693 ' HG ' ' HG2' ' B' ' 72' ' ' ARG . 54.5 mt 53.72 -136.61 1.32 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.04 137.03 58.25 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.752 0.311 . . . . 0.0 110.757 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.66 45.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.446 -1.197 . . . . 0.0 112.468 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 40.0 tp10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.683 0.278 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.592 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 1.027 HG13 HG11 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.917 HG23 ' HA2' ' B' ' 47' ' ' GLY . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HD2' ' HB ' ' B' ' 12' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.2 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.628 HG11 HG22 ' B' ' 26' ' ' VAL . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.466 HD12 HD23 ' B' ' 50' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.628 HG22 HG11 ' B' ' 17' ' ' VAL . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.515 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' B' ' 71' ' ' LEU . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.868 ' HD2' HD11 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.931 HD11 HG12 ' A' ' 263' ' ' ILE . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.719 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.466 HD23 HD12 ' B' ' 23' ' ' ILE . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.638 HD22 HD12 ' B' ' 61' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.638 HD12 HD22 ' B' ' 56' ' ' LEU . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 3.5 mm100 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.604 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.604 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.743 HD13 ' N ' ' B' ' 70' ' ' VAL . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.027 HG11 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' B' ' 41' ' ' GLN . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.532 ' OE1' ' HD2' ' B' ' 72' ' ' ARG . 34.9 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.747 0.308 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.529 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.734 HD22 HG13 ' B' ' 70' ' ' VAL . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 1.042 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.529 ' HE ' ' HA ' ' A' ' 261' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 263' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.567 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.625 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.757 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.611 HG11 HG13 ' B' ' 26' ' ' VAL . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.742 ' H ' HD22 ' B' ' 25' ' ' ASN . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.742 HD22 ' H ' ' B' ' 22' ' ' THR . 74.5 m-80 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.611 HG13 HG11 ' B' ' 17' ' ' VAL . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.81 ' HZ1' ' HG ' ' B' ' 43' ' ' LEU . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.757 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.3 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.487 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.551 ' HA ' HE21 ' B' ' 31' ' ' GLN . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.777 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.591 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.0 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.697 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.81 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.567 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.598 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.725 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.739 HD22 HD12 ' B' ' 61' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.739 HD12 HD22 ' B' ' 56' ' ' LEU . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.54 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.654 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.874 HG12 HD11 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.3 mmtp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.549 HD12 HD12 ' B' ' 67' ' ' LEU . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.528 ' HD1' HG22 ' B' ' 12' ' ' THR . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.605 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' B' ' 34' ' ' GLU . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.569 HD22 HG13 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' HD23 ' B' ' 15' ' ' LEU . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.664 HG11 HG22 ' B' ' 26' ' ' VAL . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.648 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.55 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.565 HD12 HD13 ' B' ' 50' ' ' LEU . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.664 HG22 HG11 ' B' ' 17' ' ' VAL . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.3 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' B' ' 13' ' ' ILE . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.941 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.637 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.565 HD13 HD12 ' B' ' 23' ' ' ILE . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.55 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' B' ' 65' ' ' SER . 26.1 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.549 HD12 HD12 ' B' ' 3' ' ' ILE . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.531 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.84 HG21 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.637 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.757 0.313 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 1.043 HD23 HG13 ' B' ' 70' ' ' VAL . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 267' ' ' ILE . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.493 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.474 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 264' ' ' ARG . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.423 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 3.3 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.639 HD12 HD11 ' B' ' 67' ' ' LEU . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HE2' HG21 ' B' ' 66' ' ' THR . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.421 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 29.6 p . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' B' ' 13' ' ' ILE . 53.2 tptt . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.558 ' C ' HD12 ' B' ' 13' ' ' ILE . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.689 HD11 ' HE3' ' B' ' 11' ' ' LYS . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.597 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG22 ' B' ' 26' ' ' VAL . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.53 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.636 HG22 HG11 ' B' ' 17' ' ' VAL . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.597 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.4 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 8.3 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 69' ' ' LEU . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.607 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.688 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' LEU . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.53 ' O ' HG21 ' B' ' 23' ' ' ILE . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.452 HD22 HD12 ' B' ' 61' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.452 HD12 HD22 ' B' ' 56' ' ' LEU . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.722 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.722 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.639 HD11 HD12 ' B' ' 3' ' ' ILE . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' B' ' 41' ' ' GLN . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.043 HG13 HD23 ' A' ' 262' ' ' LEU . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.585 ' HG3' ' NH2' ' A' ' 264' ' ' ARG . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.887 HG13 HG11 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.585 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.69 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.573 ' HB2' ' HD2' ' B' ' 68' ' ' HIS . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' B' ' 1' ' ' MET . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' B' ' 12' ' ' THR . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' B' ' 4' ' ' PHE . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.752 HG11 HG13 ' B' ' 26' ' ' VAL . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.752 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.765 ' HE3' HD13 ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.597 ' HD2' HG12 ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.445 HG12 ' HG ' ' B' ' 15' ' ' LEU . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.2 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.564 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 267' ' ' ILE . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 14.5 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' B' ' 43' ' ' LEU . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.606 HD22 HD12 ' B' ' 61' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.606 HD12 HD22 ' B' ' 56' ' ' LEU . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.592 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.431 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 91.0 m-70 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.694 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.887 HG11 HG13 ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.733 ' HG3' HD22 ' A' ' 262' ' ' LEU . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.748 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.716 HG13 HG11 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 3.9 mmmp? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.423 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.58 HD12 HD12 ' B' ' 67' ' ' LEU . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.756 HG22 HD22 ' B' ' 69' ' ' LEU . 59.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.705 0.288 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 15' ' ' LEU . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 26' ' ' VAL . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 56' ' ' LEU . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 50' ' ' LEU . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.479 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.883 HG22 HG21 ' B' ' 17' ' ' VAL . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.471 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.471 HD13 ' O ' ' B' ' 35' ' ' GLY . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 263' ' ' ILE . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 263' ' ' ILE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.442 HE21 HG12 ' B' ' 44' ' ' ILE . 2.9 tp-100 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 23' ' ' ILE . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.736 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.736 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.629 HD22 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.629 HD12 HD22 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.624 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.445 ' O ' HD23 ' B' ' 67' ' ' LEU . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.582 ' O ' HD12 ' B' ' 43' ' ' LEU . 91.1 m-70 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.748 HG13 ' HB3' ' A' ' 262' ' ' LEU . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.776 0.322 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.868 HG13 HG11 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.474 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.614 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.551 HD13 HG21 ' B' ' 17' ' ' VAL . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD22 ' B' ' 69' ' ' LEU . 66.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.937 0.399 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 12' ' ' THR . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.645 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.579 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.463 HD12 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.733 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.614 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.536 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.463 HD13 HD12 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.627 HD22 HD12 ' B' ' 61' ' ' ILE . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 54' ' ' ARG . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.627 HD12 HD22 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' B' ' 65' ' ' SER . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' B' ' 62' ' ' GLN . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.432 HD12 HD12 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.667 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.0 m-70 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.53 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 263' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.753 HE21 ' HG2' ' B' ' 64' ' ' GLU . 19.4 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 17' ' ' VAL . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.482 HG11 HG13 ' B' ' 26' ' ' VAL . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.62 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.688 HG21 ' O ' ' B' ' 51' ' ' GLU . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.482 HG13 HG11 ' B' ' 17' ' ' VAL . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.603 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.584 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.797 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.579 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.4 mm100 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.688 ' O ' HG21 ' B' ' 23' ' ' ILE . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.511 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.62 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.753 ' HG2' HE21 ' B' ' 2' ' ' GLN . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.679 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.947 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 79.7 ttt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 . . . . . 0 CA--C 1.524 -0.046 0 CA-C-O 120.695 0.283 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 265' ' ' LYS . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.961 HG13 HG11 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.7 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.791 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.644 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.63 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.473 HD11 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.547 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.63 HD12 HG23 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.63 HG23 HD12 ' B' ' 15' ' ' LEU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.717 HG21 ' O ' ' B' ' 51' ' ' GLU . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.818 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 54.5 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.438 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.567 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.818 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.544 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.603 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.791 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.717 ' O ' HG21 ' B' ' 23' ' ' ILE . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.535 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.517 HD22 HD12 ' B' ' 61' ' ' ILE . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.425 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.517 HD12 HD22 ' B' ' 56' ' ' LEU . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.405 ' C ' HD12 ' B' ' 67' ' ' LEU . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.626 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.961 HG11 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HD3' ' HE ' ' B' ' 42' ' ' ARG . 35.0 tpt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.678 HD12 HG13 ' B' ' 70' ' ' VAL . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 1.04 HG13 HG11 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.562 ' HE3' HD22 ' A' ' 262' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 269' ' ' LEU . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.671 HG23 ' HA2' ' B' ' 47' ' ' GLY . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.562 HE22 ' NZ ' ' B' ' 63' ' ' LYS . 3.1 pm0 -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.629 HG22 HD22 ' B' ' 69' ' ' LEU . 43.1 p . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.547 HG22 ' HB2' ' B' ' 6' ' ' LYS . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.466 HD12 ' OE2' ' B' ' 34' ' ' GLU . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.546 HD12 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG13 ' B' ' 26' ' ' VAL . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.574 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.636 HG13 HG11 ' B' ' 17' ' ' VAL . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.751 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.548 HG22 HE22 ' B' ' 41' ' ' GLN . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE2' HD12 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.751 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 30' ' ' ILE . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.557 HD11 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.765 HD11 HD23 ' B' ' 67' ' ' LEU . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.509 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.574 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.533 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.603 HD22 HD12 ' B' ' 61' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.603 HD12 HD22 ' B' ' 56' ' ' LEU . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.562 ' NZ ' HE22 ' B' ' 2' ' ' GLN . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.602 ' C ' HD12 ' B' ' 67' ' ' LEU . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.765 HD23 HD11 ' B' ' 50' ' ' LEU . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.629 HD22 HG22 ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.04 HG11 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.509 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.858 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.993 HG13 HG11 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.61 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.654 HD11 ' NE2' ' B' ' 49' ' ' GLN . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.677 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.681 HG22 HD22 ' B' ' 69' ' ' LEU . 82.0 p . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.716 ' HE3' HD11 ' B' ' 13' ' ' ILE . 60.9 tttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.653 HG22 ' HB3' ' B' ' 6' ' ' LYS . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.716 HD11 ' HE3' ' B' ' 11' ' ' LYS . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.582 HD12 HG13 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.469 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG13 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.559 HD21 ' HE2' ' B' ' 29' ' ' LYS . 42.8 t30 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.711 HG13 HG11 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' B' ' 25' ' ' ASN . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.0 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.859 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.433 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.809 HD11 HG12 ' A' ' 263' ' ' ILE . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' B' ' 44' ' ' ILE . 14.2 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.553 ' O ' HG21 ' B' ' 23' ' ' ILE . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.644 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.522 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.681 HD22 HG22 ' B' ' 7' ' ' THR . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.613 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.712 0.291 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.479 ' HG ' HG13 ' B' ' 70' ' ' VAL . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.834 HG13 HG11 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.506 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 263' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.418 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.771 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.681 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 67' ' ' LEU . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.524 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' ILE . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.435 HD13 ' O ' ' B' ' 12' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 17' ' ' VAL . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.593 HG11 HG13 ' B' ' 26' ' ' VAL . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.496 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.607 HD21 ' HE2' ' B' ' 29' ' ' LYS . 49.2 t30 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.593 HG13 HG11 ' B' ' 17' ' ' VAL . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.835 ' HE3' HD23 ' B' ' 43' ' ' LEU . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.607 ' HE2' HD21 ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.571 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.7 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.571 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 3.4 mm100 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.966 ' HB2' HD11 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.835 HD23 ' HE3' ' B' ' 27' ' ' LYS . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 23' ' ' ILE . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.489 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 3' ' ' ILE . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HD2' ' OG ' ' A' ' 270' ' ' SER . 89.9 m-70 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.966 HD11 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.834 HG11 HG13 ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.613 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.717 0.294 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 262' ' ' LEU . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.954 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.672 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.672 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' B' ' 47' ' ' GLY . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.614 HD12 ' CD1' ' B' ' 67' ' ' LEU . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' CG2' ' B' ' 66' ' ' THR . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.479 HD13 ' O ' ' B' ' 12' ' ' THR . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.499 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.47 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.559 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.499 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.489 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.478 ' OE2' HG21 ' B' ' 13' ' ' ILE . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.596 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.725 HE21 ' HB2' ' B' ' 71' ' ' LEU . 41.8 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.489 HD11 HG23 ' A' ' 263' ' ' ILE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.559 ' O ' HG21 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.532 HD22 HD12 ' B' ' 61' ' ' ILE . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.532 HD12 HD22 ' B' ' 56' ' ' LEU . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' B' ' 65' ' ' SER . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.614 ' CD1' HD12 ' B' ' 3' ' ' ILE . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.526 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.954 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.901 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 57.7 ttp180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.861 0.363 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.847 ' HA ' HG21 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 267' ' ' ILE . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.409 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.542 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.634 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.546 HG23 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.524 HD21 HG13 ' B' ' 26' ' ' VAL . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.428 HD11 HD12 ' B' ' 50' ' ' LEU . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.83 ' HE2' HD23 ' B' ' 43' ' ' LEU . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' B' ' 69' ' ' LEU . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.83 HD23 ' HE2' ' B' ' 27' ' ' LYS . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HG23 ' A' ' 263' ' ' ILE . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.542 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.401 HD21 HD13 ' B' ' 23' ' ' ILE . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.42 ' HB ' ' HE1' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.62 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.847 HG21 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 71' ' ' LEU . 6.3 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.791 HD23 HG13 ' B' ' 70' ' ' VAL . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.964 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.677 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.677 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' B' ' 44' ' ' ILE . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.621 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.501 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG22 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.894 0.378 . . . . 0.0 111.729 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' B' ' 34' ' ' GLU . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.54 ' N ' HD13 ' B' ' 15' ' ' LEU . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.605 HG11 HG22 ' B' ' 26' ' ' VAL . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.605 HG22 HG11 ' B' ' 17' ' ' VAL . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HE2' HD23 ' B' ' 43' ' ' LEU . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' B' ' 13' ' ' ILE . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.625 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.641 HD23 ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.47 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.4 ' N ' ' HB3' ' A' ' 270' ' ' SER . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.47 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.527 ' HB2' HE21 ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' B' ' 43' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.73 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.64 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.533 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 . . . . . 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.984 0.421 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 264' ' ' ARG . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 1.025 ' HA ' HG21 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.634 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 264' ' ' ARG . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 HD22 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.511 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.95 HG22 HD23 ' B' ' 69' ' ' LEU . 77.1 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.641 HG11 HG22 ' B' ' 26' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.516 HG21 ' O ' ' B' ' 51' ' ' GLU . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.641 HG22 HG11 ' B' ' 17' ' ' VAL . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.611 ' HE3' HD22 ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE2' HG23 ' B' ' 30' ' ' ILE . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.924 ' HB3' HD11 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.599 ' O ' HD12 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.899 ' HG ' HD12 ' B' ' 50' ' ' LEU . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.547 HG12 ' OE1' ' B' ' 49' ' ' GLN . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' B' ' 50' ' ' LEU . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.425 ' HA3' ' CD2' ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.899 HD12 ' HG ' ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.516 ' O ' HG21 ' B' ' 23' ' ' ILE . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.491 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.43 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.95 HD23 HG22 ' B' ' 7' ' ' THR . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 1.025 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.523 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.562 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.593 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.756 0.312 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.914 HG13 HG11 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.451 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.553 ' HD2' HG22 ' B' ' 12' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.542 HG22 HD22 ' B' ' 69' ' ' LEU . 81.3 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.458 HD12 HG13 ' B' ' 17' ' ' VAL . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.54 HG11 HG13 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.637 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.681 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 3.1 m120 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.54 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.69 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 40' ' ' GLN . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HG3' ' OD1' ' B' ' 39' ' ' ASP . 26.1 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' B' ' 71' ' ' LEU . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.702 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.87 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HB3' HD11 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.87 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.637 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.681 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.62 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.732 HD22 HD12 ' B' ' 61' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.732 HD12 HD22 ' B' ' 56' ' ' LEU . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' B' ' 65' ' ' SER . 98.9 mm-40 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.469 ' H ' HG22 ' B' ' 3' ' ' ILE . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 266' ' ' ALA . 91.5 m-70 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 HG22 ' B' ' 7' ' ' THR . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.914 HG11 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' B' ' 41' ' ' GLN . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.593 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.633 0.254 . . . . 0.0 111.49 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.955 HG13 HG11 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 264' ' ' ARG . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.45 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' B' ' 67' ' ' LEU . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.509 ' HD2' HG22 ' B' ' 12' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 78.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.41 HD13 ' NZ ' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.453 HD21 HG13 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 26' ' ' VAL . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.475 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.722 ' HE3' HD23 ' B' ' 43' ' ' LEU . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' NZ ' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.528 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.621 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 70.4 tp60 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' B' ' 69' ' ' LEU . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.889 ' HB3' HD12 ' B' ' 50' ' ' LEU . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.548 HD11 HG23 ' A' ' 263' ' ' ILE . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.889 HD12 ' HB3' ' B' ' 43' ' ' LEU . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.702 HD22 HD12 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.955 HG11 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.494 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 262' ' ' LEU . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.99 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.828 HG23 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . 0.593 HD21 ' HA3' ' B' ' 47' ' ' GLY . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.672 HD12 HD11 ' B' ' 67' ' ' LEU . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.651 ' HB2' HG22 ' B' ' 12' ' ' THR . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.731 ' HE3' HD11 ' B' ' 13' ' ' ILE . 63.8 tttp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.651 HG22 ' HB2' ' B' ' 6' ' ' LYS . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.731 HD11 ' HE3' ' B' ' 11' ' ' LYS . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.686 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG13 ' B' ' 26' ' ' VAL . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.496 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.701 HG13 HG11 ' B' ' 17' ' ' VAL . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.686 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.654 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.3 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.654 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.703 ' HB3' HD11 ' B' ' 50' ' ' LEU . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.828 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' H ' HG12 ' B' ' 23' ' ' ILE . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.554 HD12 HD22 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.55 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.55 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.672 HD11 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.655 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.638 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.99 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 50.7 ttt-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 259' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.785 0.326 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 260' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.486 ' HB3' HG13 ' B' ' 70' ' ' VAL . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 263' ' ' ILE . . . . . 0.919 ' HA ' HG21 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 264' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 265' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 266' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 267' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 269' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.657 HD12 HD11 ' B' ' 67' ' ' LEU . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CB ' HG22 ' B' ' 66' ' ' THR . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.668 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 1.069 HG21 HG22 ' B' ' 26' ' ' VAL . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.63 HG21 ' O ' ' B' ' 51' ' ' GLU . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.3 m120 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 1.069 HG22 HG21 ' B' ' 17' ' ' VAL . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.668 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.7 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.529 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.579 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 263' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' B' ' 50' ' ' LEU . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.63 ' O ' HG21 ' B' ' 23' ' ' ILE . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.447 HG22 ' CB ' ' B' ' 4' ' ' PHE . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.657 HD11 HD12 ' B' ' 3' ' ' ILE . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.666 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.71 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.919 HG21 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.514 ' HG3' ' OE2' ' A' ' 259' ' ' GLU . 39.0 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.551 0.215 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -78.17 47.98 2.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.769 2.312 . . . . 0.0 112.551 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -145.11 52.12 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.768 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.6 p30 -55.06 -31.97 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.239 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.588 ' HB2' ' HB2' ' B' ' 73' ' ' LEU . 40.0 tp10 -65.23 -48.76 72.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.425 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.69 -49.91 73.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.09 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 23.7 pt-20 -58.74 -41.06 85.61 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.592 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -60.17 -43.62 95.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.179 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 1.027 HG13 HG11 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -58.82 -49.47 82.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.619 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -69.44 -34.25 74.13 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.928 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.619 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 58.1 mtpt -55.34 -45.85 76.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.1 -36.67 82.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.41 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.917 HG23 ' HA2' ' B' ' 47' ' ' GLY . 65.6 mt -56.39 -48.34 80.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.953 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 56.2 mt-10 -65.86 -45.11 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.0 mt -56.26 -45.41 80.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.177 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 42.4 t -65.71 -43.35 89.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -57.53 -39.74 77.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.237 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.2 mmmm -58.41 -46.27 86.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.83 -48.72 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 58.9 m -80.25 41.96 0.55 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' A' ' 275' ' ' ARG . 20.1 ptt-85 -64.57 -45.03 88.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -79.97 42.22 0.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 85.5 p 48.71 41.44 17.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.272 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.045 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 27.8 ttt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -133.42 145.19 50.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 pt -144.22 145.78 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.795 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.443 ' HD2' ' HB ' ' B' ' 12' ' ' THR . 6.3 m-85 -98.36 127.78 44.45 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.02 121.41 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.601 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -104.67 119.83 39.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.845 0.355 . . . . 0.0 111.026 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.2 p -79.45 143.36 35.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.591 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.0 tm? -49.83 -37.32 30.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 6.8 t -61.43 -41.67 97.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.219 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.68 65.06 0.11 Allowed Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.883 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -154.0 116.13 4.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.605 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.443 ' HB ' ' HD2' ' B' ' 4' ' ' PHE . 77.2 p -95.39 141.03 29.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.2 mt -141.21 136.29 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.036 0.446 . . . . 0.0 111.992 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.1 m -64.52 139.33 58.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.501 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.07 107.51 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.908 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.78 131.27 35.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.628 HG11 HG22 ' B' ' 26' ' ' VAL . 22.2 m -152.03 132.71 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.431 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 5.1 mm-40 -67.59 138.39 56.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.641 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -57.04 -42.36 80.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.2 t -61.73 -41.27 97.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.431 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.7 m-20 -58.13 134.66 56.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.304 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' B' ' 23' ' ' ILE . 3.3 t -73.12 177.88 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.596 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.466 HD12 HD23 ' B' ' 50' ' ' LEU . 47.1 mm -62.65 -39.88 86.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.358 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -47.96 -43.5 29.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.17 -45.66 93.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.628 HG22 HG11 ' B' ' 17' ' ' VAL . 60.4 t -57.73 -47.04 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.816 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.5 mmtp -60.03 -38.61 83.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.444 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -58.07 -49.96 75.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.285 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.38 -43.67 96.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.546 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 26' ' ' VAL . 80.7 mt -59.21 -39.44 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.634 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.515 ' OE1' ' HD3' ' B' ' 38' ' ' PRO . 38.4 tt0 -63.92 -47.57 80.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.006 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.59 -43.05 99.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -77.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -76.26 -39.22 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.06 53.69 2.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.398 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -139.31 131.85 15.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.5 0.19 . . . . 0.0 110.983 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 48.6 Cg_exo -56.67 139.63 88.66 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.515 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 32.0 Cg_exo -58.81 -45.39 29.25 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.702 2.268 . . . . 0.0 112.591 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.06 -42.55 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -61.17 -54.95 37.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.555 ' HA ' HD23 ' B' ' 71' ' ' LEU . 25.2 pt20 -74.35 142.56 45.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.354 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.868 ' HD2' HD11 ' A' ' 263' ' ' ILE . 45.6 ttm-85 -137.33 121.23 17.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 67' ' ' LEU . 95.9 mt -89.09 144.82 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.931 HD11 HG12 ' A' ' 263' ' ' ILE . 68.9 mt -130.76 140.27 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -164.1 143.15 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.08 38.81 29.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.83 35.0 80.37 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.597 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.719 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -75.73 128.5 35.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.526 179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.466 HD23 HD12 ' B' ' 23' ' ' ILE . 7.2 mp -68.09 125.42 26.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.198 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -83.23 140.16 32.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.783 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.76 49.44 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.494 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.43 41.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -146.61 136.17 23.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.886 0.374 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -68.77 142.8 54.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.562 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.638 HD22 HD12 ' B' ' 61' ' ' ILE . 96.2 mt -61.02 -32.24 71.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.629 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -51.64 -46.64 63.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.8 -42.5 89.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.943 0.401 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -64.33 -31.29 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.76 45.28 7.93 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.224 0.535 . . . . 0.0 109.809 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.638 HD12 HD22 ' B' ' 56' ' ' LEU . 64.7 mt -66.81 132.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.494 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.417 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 3.5 mm100 -65.91 152.44 44.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.701 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.604 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.0 tttm -63.41 133.38 53.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.783 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.604 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.4 mt-10 60.88 41.69 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.54 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 61.5 m -83.94 150.1 25.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.02 0.438 . . . . 0.0 111.29 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.0 m -92.6 132.82 36.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.954 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.56 HD13 HD13 ' B' ' 43' ' ' LEU . 92.7 mt -112.26 129.65 56.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.653 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 31.8 m170 -77.27 128.31 34.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.116 0.484 . . . . 0.0 111.57 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.743 HD13 ' N ' ' B' ' 70' ' ' VAL . 1.2 tm? -91.92 135.88 33.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.277 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.027 HG11 HG13 ' A' ' 263' ' ' ILE . 49.1 t -144.35 112.11 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.284 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' B' ' 41' ' ' GLN . 93.0 mt -86.58 124.73 33.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.027 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 79.2 ttt180 -61.99 132.18 52.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 259' ' ' GLU . 52.1 tp -68.83 137.81 54.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -60.78 139.45 57.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.946 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.37 -39.91 93.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.64 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.662 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.769 0.319 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.94 38.96 0.68 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.563 2.175 . . . . 0.0 112.833 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 63.61 135.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.063 0.458 . . . . 0.0 111.711 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -63.7 -32.26 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.638 ' HB2' ' HG ' ' B' ' 73' ' ' LEU . 34.9 tt0 -57.78 -49.37 76.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 38.9 tt0 -57.31 -41.35 79.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.529 ' HA ' ' HE ' ' A' ' 264' ' ' ARG . 88.7 tt0 -58.13 -40.57 81.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.734 HD22 HG13 ' B' ' 70' ' ' VAL . 4.2 tt -64.78 -52.1 58.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 1.042 HG13 HG11 ' B' ' 70' ' ' VAL . 10.8 mt -57.9 -53.78 40.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.54 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.529 ' HE ' ' HA ' ' A' ' 261' ' ' GLU . 40.6 ptt180 -61.68 -36.55 81.18 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.901 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.47 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 3.9 tppp? -54.64 -46.68 73.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -65.56 -32.55 74.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.015 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 263' ' ' ILE . 38.3 mm -59.61 -54.24 37.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.454 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 89.2 tt0 -65.13 -48.74 72.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.608 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 91.0 mt -56.59 -39.76 74.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.054 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 36.6 t -67.22 -44.89 78.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.567 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.9 mt -59.04 -42.01 89.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.276 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.1 mmtp -57.41 -44.03 84.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.1 -47.7 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 77.4 p -81.92 47.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.914 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -55.28 129.69 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.9 -127.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.165 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.1 m -69.76 -140.52 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.611 0.243 . . . . 0.0 110.642 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.276 179.819 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.423 0.154 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.46 131.13 22.65 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 pt -117.25 147.94 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.419 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.625 ' O ' ' HA ' ' B' ' 66' ' ' THR . 22.3 m-85 -98.01 129.2 44.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.763 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' B' ' 12' ' ' THR . 83.8 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 62.0 tttp -137.59 140.09 40.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.321 0.582 . . . . 0.0 112.323 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -74.05 -151.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.755 178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 262' ' ' LEU . 92.3 mt -59.17 -63.17 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.918 0.389 . . . . 0.0 110.521 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.9 p -153.42 54.85 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.729 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.97 -109.01 0.34 Allowed Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.733 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 39.6 ttpt -48.45 135.49 14.02 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 56.3 m -150.16 133.38 16.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.71 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.5 mt -149.37 143.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.1 m -63.01 144.32 56.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.108 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.757 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -151.08 109.88 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -69.64 133.28 47.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.611 HG11 HG13 ' B' ' 26' ' ' VAL . 27.6 m -150.9 129.08 2.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.065 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 62.2 mm-40 -78.67 142.3 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.68 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -53.3 -42.35 66.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -64.35 -38.77 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 41.2 m-20 -55.31 133.34 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.344 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.742 ' H ' HD22 ' B' ' 25' ' ' ASN . 59.7 p -78.91 173.13 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.15 -41.1 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -55.71 -46.4 77.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.252 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.742 HD22 ' H ' ' B' ' 22' ' ' THR . 74.5 m-80 -59.21 -39.35 82.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.611 HG13 HG11 ' B' ' 17' ' ' VAL . 58.1 t -60.94 -43.57 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.81 ' HZ1' ' HG ' ' B' ' 43' ' ' LEU . 71.8 mmtt -60.46 -45.49 93.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.27 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -61.86 -44.56 96.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.801 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.757 HG12 ' HG ' ' B' ' 15' ' ' LEU . 81.5 mt -59.63 -41.21 84.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.551 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.3 tt0 -63.8 -40.24 96.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.074 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -63.67 -45.9 87.99 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.808 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.487 ' C ' ' HD3' ' B' ' 33' ' ' LYS . 1.4 tmtp? -81.4 -62.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.585 -179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.53 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.198 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.16 49.71 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.229 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -143.74 132.99 11.5 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.632 0.253 . . . . 0.0 110.913 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.551 ' HA ' HE21 ' B' ' 31' ' ' GLN . 19.7 Cg_endo -58.54 137.25 79.22 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.55 2.166 . . . . 0.0 112.482 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.777 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 39.5 Cg_exo -60.62 -37.66 78.07 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.887 2.392 . . . . 0.0 112.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.96 -48.02 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.86 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.591 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.0 mt-30 -64.29 -55.36 21.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 0.0 111.601 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.2 pt20 -68.48 134.31 49.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.931 0.396 . . . . 0.0 111.497 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.697 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 39.8 mmt180 -121.97 121.3 36.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.476 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.81 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 86.6 mt -84.42 141.34 30.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.012 0.434 . . . . 0.0 111.618 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 71.1 mt -141.73 137.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.528 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -161.53 144.9 12.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.73 37.85 17.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.567 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 59.78 40.62 96.89 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.216 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -158.84 129.4 6.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.444 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.5 OUTLIER -68.48 136.8 53.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.184 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.5 mm? -69.11 119.16 12.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' B' ' 54' ' ' ARG . 66.5 mm-40 -79.4 134.07 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.03 53.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.103 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.598 ' C ' ' HD2' ' B' ' 54' ' ' ARG . . . -176.08 33.93 0.09 OUTLIER Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.29 -0.957 . . . . 0.0 113.254 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.725 ' HD3' ' HB2' ' B' ' 51' ' ' GLU . 1.2 mpt_? -146.05 136.84 24.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 80.6 p -67.78 144.04 55.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.638 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.739 HD22 HD12 ' B' ' 61' ' ' ILE . 92.7 mt -58.17 -36.02 72.43 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.202 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.2 t -51.73 -40.86 60.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -59.78 -41.4 91.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.555 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -72.61 -29.88 63.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 65.08 41.45 4.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.327 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.739 HD12 HD22 ' B' ' 56' ' ' LEU . 66.5 mt -61.81 132.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -69.12 143.1 54.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.602 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -56.09 138.65 49.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 63.23 40.16 9.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.516 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.2 t -89.22 139.77 30.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.717 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 22.7 p -89.59 121.74 32.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 111.671 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.54 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.9 mm? -95.43 128.21 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.654 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 92.2 m-70 -70.88 124.24 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.58 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.7 tt -104.78 136.76 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 263' ' ' ILE . 38.6 t -128.2 126.65 66.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.672 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -77.49 125.23 29.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.591 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 12.0 tpt180 -78.9 132.13 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.974 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.638 ' HG ' ' HB2' ' A' ' 259' ' ' GLU . 93.8 mt -72.95 138.2 45.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.761 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -173.28 130.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.667 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.37 131.29 41.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.486 0.184 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.83 146.32 56.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.809 2.339 . . . . 0.0 112.538 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 260' ' ' GLU . 0.3 OUTLIER -151.64 128.84 11.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.023 0.44 . . . . 0.0 111.042 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -96.54 -45.42 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.496 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 259' ' ' GLU . 0.2 OUTLIER -57.2 -39.28 75.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.006 -178.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.444 ' HB3' ' HG2' ' A' ' 257' ' ' GLU . 39.2 tt0 -59.6 -41.15 89.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.66 0.267 . . . . 0.0 111.382 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 43.9 tt0 -61.64 -51.96 66.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.565 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.9 mm? -60.88 -36.19 78.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.12 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.874 HG12 HD11 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -65.23 -50.18 75.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.482 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.4 ptm180 -60.19 -37.61 80.76 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.53 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.511 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 28.7 mtpp -57.5 -43.56 84.28 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -64.75 -32.0 73.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.485 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.0 mm -63.94 -46.1 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.962 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 44.5 tt0 -64.77 -44.15 90.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.4 mt -58.74 -45.37 89.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 87.6 p -63.53 -43.66 96.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.178 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 90.9 mt -60.02 -44.71 94.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.227 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 35.3 mmtp -59.64 -43.74 93.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.23 -46.88 84.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.742 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 276' ' ' ASN . 80.8 p -77.41 68.86 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.06 34.04 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.528 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 274' ' ' SER . 15.3 p-10 -82.55 45.55 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 53.6 m 57.25 38.69 28.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.746 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 94.4 mmm . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.938 0.399 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -137.92 137.66 38.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.549 HD12 HD12 ' B' ' 67' ' ' LEU . 28.4 pt -148.74 141.43 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.528 ' HD1' HG22 ' B' ' 12' ' ' THR . 14.0 m-85 -99.63 127.85 45.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.946 0.403 . . . . 0.0 111.705 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 12' ' ' THR . 79.3 t -86.62 133.77 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.948 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -122.52 131.73 53.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.458 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.605 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 62.3 p -119.94 156.11 31.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.565 ' HG ' HD12 ' A' ' 262' ' ' LEU . 3.9 mm? -75.04 43.62 0.21 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.55 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -149.57 33.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.0 49.56 70.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.74 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.605 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 22.1 tptm -129.95 136.29 49.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.008 0.432 . . . . 0.0 111.245 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 8.9 m -143.52 133.62 24.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.081 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' B' ' 34' ' ' GLU . 51.4 mt -147.51 141.34 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.7 m -68.6 145.72 53.7 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.576 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.569 HD22 HG13 ' B' ' 17' ' ' VAL . 2.0 tt -147.15 116.72 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 110.226 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' HD23 ' B' ' 15' ' ' LEU . 43.6 tt0 -89.66 134.83 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.285 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.664 HG11 HG22 ' B' ' 26' ' ' VAL . 17.3 m -148.8 -156.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.534 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 56.3 mt-10 -150.91 143.72 24.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.417 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.648 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 78.8 p -50.4 -38.38 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -64.11 -44.28 92.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.396 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 62.4 m-20 -57.1 132.42 52.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.453 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.55 ' HB ' ' N ' ' B' ' 54' ' ' ARG . 82.3 p -78.85 163.55 25.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.311 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.565 HD12 HD13 ' B' ' 50' ' ' LEU . 46.6 mm -51.68 -38.53 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.773 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -55.94 -42.58 76.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.083 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -58.02 -47.1 84.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.017 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.664 HG22 HG11 ' B' ' 17' ' ' VAL . 61.8 t -56.45 -39.54 62.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.824 178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -60.71 -41.19 94.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.135 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 53.4 m -59.07 -45.11 91.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 59.9 mttp -62.32 -46.83 86.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' VAL . 69.0 mt -59.63 -40.93 83.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.766 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.3 tt0 -61.43 -44.5 97.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.563 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.17 -40.03 94.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 47.2 mmtm -73.3 -69.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.317 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' B' ' 13' ' ' ILE . 55.2 mm-40 -76.58 -38.65 54.55 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.54 34.02 7.22 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.522 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.4 mt -107.28 136.33 19.55 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.279 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.466 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 31.4 Cg_exo -56.1 135.53 70.36 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.219 1.946 . . . . 0.0 111.883 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 33.4 Cg_exo -57.91 -45.35 33.09 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.193 . . . . 0.0 112.424 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.37 -43.99 76.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -59.18 -53.46 58.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.697 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.941 ' HB2' HD11 ' B' ' 69' ' ' LEU . 25.4 pt20 -70.77 140.67 51.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.637 ' HD3' ' CZ ' ' B' ' 72' ' ' ARG . 87.8 mtm180 -126.74 123.14 36.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.432 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.492 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 93.7 mt -93.43 133.58 36.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 263' ' ' ILE . 63.8 mt -120.03 139.5 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -162.04 143.54 10.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.742 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.4 38.71 25.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.57 38.79 92.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.451 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -164.98 133.43 3.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -67.2 134.37 51.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.698 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.565 HD13 HD12 ' B' ' 23' ' ' ILE . 88.2 mt -65.57 126.25 27.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.487 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 47.6 mt-10 -73.55 131.77 42.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.174 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.83 136.31 52.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.83 44.11 32.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.963 -0.636 . . . . 0.0 113.158 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.55 ' N ' ' HB ' ' B' ' 22' ' ' THR . 39.2 mmt180 -134.91 132.68 38.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -60.58 136.73 58.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.699 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 61.4 mt -64.1 -34.65 78.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.839 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -51.91 -41.72 62.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -44.73 87.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.33 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.99 -29.77 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.671 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 63.59 48.54 3.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -68.65 128.93 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.177 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' B' ' 65' ' ' SER . 26.1 mt-30 -67.19 143.52 56.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.932 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -56.55 141.83 41.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 58.32 39.9 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 44.2 t -83.56 147.4 27.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.484 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 99.1 m -87.69 129.84 35.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.549 HD12 HD12 ' B' ' 3' ' ' ILE . 80.6 mt -118.25 130.43 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 111.182 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.531 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 89.6 m-70 -80.51 146.57 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.041 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' B' ' 41' ' ' GLN . 37.4 tp -132.16 141.11 48.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.347 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.84 HG21 HG13 ' A' ' 263' ' ' ILE . 0.8 OUTLIER -151.22 124.15 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 0.0 111.105 -179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -72.29 135.15 45.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.036 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.637 ' CZ ' ' HD3' ' B' ' 42' ' ' ARG . 48.4 ttm-85 -76.78 47.34 0.5 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.69 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.5 tp 64.4 131.91 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.988 0.423 . . . . 0.0 111.31 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mtm105 -62.57 -43.4 98.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 137.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.53 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.432 -1.204 . . . . 0.0 112.511 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.534 0.207 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.81 131.42 22.57 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.399 2.066 . . . . 0.0 112.23 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.462 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 67.9 mm-40 -66.47 128.83 37.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.72 -44.66 8.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 73' ' ' LEU . 80.8 tt0 -63.92 -49.65 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.61 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 55.0 mp0 -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.1 -43.57 95.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.951 0.405 . . . . 0.0 110.452 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 1.043 HD23 HG13 ' B' ' 70' ' ' VAL . 23.5 tp -64.18 -49.23 72.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.801 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 7.7 mt -56.82 -55.44 19.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.549 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.608 ' HA ' HD12 ' A' ' 267' ' ' ILE . 4.2 ptm85 -61.56 -34.92 76.41 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.721 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.501 ' HG3' HD21 ' B' ' 8' ' ' LEU . 3.9 tppp? -54.51 -47.52 73.0 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.579 ' HB2' HD23 ' B' ' 8' ' ' LEU . . . -65.94 -33.35 75.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.819 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 264' ' ' ARG . 71.4 mt -61.78 -47.98 90.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.521 ' O ' ' HD3' ' A' ' 272' ' ' LYS . 56.3 mt-10 -65.79 -49.03 69.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.4 mt -57.44 -37.95 73.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.718 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 47.1 t -66.35 -45.36 80.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.423 HD21 ' HA3' ' B' ' 47' ' ' GLY . 95.2 mt -60.61 -51.71 68.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.275 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 268' ' ' GLU . 4.5 mptp? -61.95 -40.72 96.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.921 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -58.75 -49.57 77.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.619 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 277' ' ' SER . 26.9 t -84.51 55.46 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.732 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.497 ' HD2' ' N ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -47.14 134.16 11.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.746 -179.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.09 42.68 25.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 274' ' ' SER . 79.7 p -65.88 -47.45 74.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.06 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.86 0.362 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 3.3 pt20 -98.26 140.65 32.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.639 HD12 HD11 ' B' ' 67' ' ' LEU . 25.4 pt -134.04 144.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.499 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.554 ' O ' ' HA ' ' B' ' 66' ' ' THR . 19.1 m-85 -96.0 123.28 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.7 t -87.11 130.19 37.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.522 ' HE2' HG21 ' B' ' 66' ' ' THR . 38.8 ttpt -139.19 126.16 21.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.421 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 29.6 p -75.46 145.21 41.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.602 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.0 tm? -47.66 -34.04 7.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.411 HG23 ' N ' ' B' ' 10' ' ' GLY . 5.1 t -62.82 -49.34 75.3 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.411 ' N ' HG23 ' B' ' 9' ' ' THR . . . 163.21 -35.86 0.32 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.973 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.689 ' HE3' HD11 ' B' ' 13' ' ' ILE . 53.2 tptt -45.93 142.43 2.63 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.766 0.317 . . . . 0.0 111.584 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.558 ' C ' HD12 ' B' ' 13' ' ' ILE . 57.2 m -149.42 137.8 20.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.278 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.689 HD11 ' HE3' ' B' ' 11' ' ' LYS . 5.2 mp -147.36 142.59 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.448 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.3 m -65.47 141.43 58.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.597 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -152.8 107.29 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.096 0.474 . . . . 0.0 110.172 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 5.2 tm-20 -87.43 136.31 32.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.184 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG22 ' B' ' 26' ' ' VAL . 10.7 m -152.31 130.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.165 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.492 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 94.3 mt-10 -68.76 138.56 54.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.549 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 38.8 t -54.0 -36.14 62.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.026 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -59.34 -46.98 87.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.9 m-20 -59.72 136.38 57.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.0 p -71.67 -152.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.53 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.7 mm -83.78 -39.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.18 -45.47 53.53 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.382 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -59.42 -46.37 88.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 110.429 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.636 HG22 HG11 ' B' ' 17' ' ' VAL . 48.0 t -58.51 -45.08 90.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.721 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 34.9 mmtp -59.05 -40.89 86.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.876 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -60.16 -49.01 79.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.1 mtpm? -63.13 -45.71 90.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.597 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -58.7 -40.81 80.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.686 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.46 -48.5 80.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.451 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.68 -61.32 2.03 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -64.71 -43.94 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.33 51.31 3.35 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.326 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.4 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 72.2 mt -136.71 133.76 19.11 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.557 0.218 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 73.1 Cg_exo -52.02 134.47 49.38 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.496 2.131 . . . . 0.0 111.903 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.81 -46.24 35.12 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.593 2.195 . . . . 0.0 112.775 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -64.26 -38.72 92.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.753 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' B' ' 37' ' ' PRO . 8.3 tt0 -66.1 -54.26 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.772 0.32 . . . . 0.0 111.341 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' B' ' 69' ' ' LEU . 17.4 pt20 -70.42 134.97 48.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HD2' ' HB2' ' B' ' 49' ' ' GLN . 14.8 tpp85 -124.2 123.16 39.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.524 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 87.1 mt -88.87 147.64 24.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.99 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.607 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.3 mt -141.64 142.54 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.737 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -164.93 145.18 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.719 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.45 38.95 19.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.239 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.536 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.45 38.01 95.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.214 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -161.86 128.93 3.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.923 0.392 . . . . 0.0 111.059 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.688 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -69.61 136.95 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.915 -179.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.43 HD22 ' N ' ' B' ' 50' ' ' LEU . 3.4 mm? -68.56 132.06 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.53 ' O ' HG21 ' B' ' 23' ' ' ILE . 7.8 mp0 -67.35 -156.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -142.28 43.25 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.009 0.433 . . . . 0.0 110.587 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.3 44.57 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -139.56 133.42 30.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.938 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 82.0 p -65.98 136.07 55.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.286 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.452 HD22 HD12 ' B' ' 61' ' ' ILE . 97.6 mt -61.1 -32.45 72.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -52.19 -41.67 62.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.48 -38.89 82.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' B' ' 59' ' ' TYR . 1.1 m-85 -72.9 -31.12 64.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.87 44.92 4.58 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.452 HD12 HD22 ' B' ' 56' ' ' LEU . 67.1 mt -63.96 134.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.407 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -71.93 149.17 45.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.836 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.722 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 88.0 tttt -63.93 141.53 58.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.722 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.6 mt-10 64.58 41.17 5.58 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.683 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m -91.47 144.65 25.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.935 0.397 . . . . 0.0 111.126 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.4 m -96.58 122.84 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.653 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.639 HD11 HD12 ' B' ' 3' ' ' ILE . 24.3 mt -102.08 128.42 48.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.053 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.607 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.5 m-70 -68.75 140.91 55.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' B' ' 41' ' ' GLN . 45.6 tp -125.82 139.36 53.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.145 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.043 HG13 HD23 ' A' ' 262' ' ' LEU . 88.9 t -140.65 127.11 21.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.833 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -76.81 129.55 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.7 ttt-85 -62.21 119.78 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.0 111.237 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.64 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 15.6 tp 49.52 -135.37 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.988 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.64 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 3.8 mmp_? 55.53 39.89 31.08 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.904 0.383 . . . . 0.0 110.58 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.18 132.63 48.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.79 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.539 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 2.3 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.584 0.231 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 17.5 Cg_exo -66.27 -134.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.821 2.347 . . . . 0.0 111.952 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 260' ' ' GLU . 64.5 mm-40 58.99 58.23 3.25 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.088 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 261' ' ' GLU . 54.8 m-20 -59.85 -26.16 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.29 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.448 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 89.1 tt0 -61.29 -51.38 69.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.645 ' HG3' ' O ' ' A' ' 257' ' ' GLU . 1.0 OUTLIER -59.15 -25.65 64.08 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.68 0.276 . . . . 0.0 110.782 -179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.585 ' HG3' ' NH2' ' A' ' 264' ' ' ARG . 43.8 tt0 -61.91 -49.55 75.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.038 0.447 . . . . 0.0 110.445 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.463 ' HG ' HD13 ' B' ' 8' ' ' LEU . 3.8 mm? -65.79 -44.59 85.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.887 HG13 HG11 ' B' ' 70' ' ' VAL . 28.2 mt -56.34 -49.22 77.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.269 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.585 ' NH2' ' HG3' ' A' ' 261' ' ' GLU . 40.1 ptt85 -62.65 -37.9 88.16 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.718 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 98.4 mttt -54.17 -45.21 72.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.1 -33.96 76.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.973 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.69 HD13 HG21 ' B' ' 44' ' ' ILE . 46.8 mm -60.0 -54.23 37.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.223 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 5.6 tp10 -61.52 -47.3 86.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.17 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 88.8 mt -58.55 -39.22 79.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.793 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.573 ' HB2' ' HD2' ' B' ' 68' ' ' HIS . 44.0 t -61.72 -47.28 85.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.44 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.1 mmtt -59.76 -45.92 90.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.244 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -62.67 -54.85 33.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.983 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.6 t -86.55 39.34 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.516 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -68.57 -48.86 63.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.314 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.36 -46.56 88.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 55.6 m -80.58 41.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.154 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 1.2 pmm? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.624 0.249 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.434 ' N ' ' HG2' ' B' ' 1' ' ' MET . 14.9 mp0 -80.58 133.24 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 pt -145.91 138.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.256 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.524 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -88.39 163.5 15.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.748 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -143.68 129.17 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.752 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' B' ' 12' ' ' THR . 40.4 mtmt -116.84 133.15 56.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.659 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -79.98 156.9 26.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.345 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.509 HD21 HG22 ' B' ' 70' ' ' VAL . 91.7 mt -45.33 -36.98 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.182 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.4 p -62.72 -48.79 77.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.628 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.27 -29.9 1.08 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.792 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.7 tptt -45.22 139.45 3.42 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.872 0.368 . . . . 0.0 111.505 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' B' ' 4' ' ' PHE . 28.7 m -130.12 138.18 50.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 61.7 mt -147.48 143.67 19.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.217 0.532 . . . . 0.0 112.308 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -70.97 147.9 48.21 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.199 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.7 OUTLIER -154.51 107.72 2.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 109.954 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -77.78 146.79 35.62 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.752 HG11 HG13 ' B' ' 26' ' ' VAL . 17.5 m -152.8 135.69 7.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.578 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 55.3 mm-40 -60.16 144.02 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 m -57.67 -48.41 79.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.649 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 56.9 m -86.04 39.31 0.8 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 35.2 t70 -107.19 138.38 43.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.777 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.7 p -79.18 148.99 32.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 54' ' ' ARG . 49.4 mm -49.78 -41.21 16.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.354 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -55.61 -49.26 73.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.132 0.491 . . . . 0.0 110.2 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -58.43 -39.6 80.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.474 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.752 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -57.94 -45.56 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.472 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.765 ' HE3' HD13 ' B' ' 43' ' ' LEU . 47.4 mmtm -61.21 -40.15 92.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.201 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -56.86 -45.83 82.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.19 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.597 ' HD2' HG12 ' B' ' 17' ' ' VAL . 95.8 mttt -60.27 -46.1 91.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.079 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.445 HG12 ' HG ' ' B' ' 15' ' ' LEU . 68.7 mt -59.47 -36.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.466 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 37.9 tt0 -63.22 -44.48 95.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.871 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -65.58 -44.0 88.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.985 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -73.04 -59.82 2.52 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.45 -40.01 44.78 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.15 39.42 7.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.534 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mm -117.52 131.32 24.12 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.732 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.5 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 11.2 Cg_endo -54.59 134.7 63.4 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.373 2.049 . . . . 0.0 112.086 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.434 ' HD3' ' OE1' ' B' ' 31' ' ' GLN . 24.9 Cg_endo -61.98 -38.72 55.81 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.786 2.324 . . . . 0.0 112.597 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.33 -47.12 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.591 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 26.2 mt-30 -68.29 -56.57 8.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.536 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 25.7 pt20 -64.83 134.71 54.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.564 ' NH2' ' HG2' ' B' ' 49' ' ' GLN . 77.1 ttt180 -134.12 114.39 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.705 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 67' ' ' LEU . 9.1 mp -83.41 140.81 32.15 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.859 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 267' ' ' ILE . 68.4 mt -141.32 140.91 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.679 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -151.93 145.86 25.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.482 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.56 36.52 27.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.99 35.01 85.87 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.612 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -149.89 129.74 13.34 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.849 0.356 . . . . 0.0 111.009 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' NH2' ' B' ' 42' ' ' ARG . 14.5 mp0 -67.14 133.39 49.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.536 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' B' ' 43' ' ' LEU . 87.0 mt -70.05 121.39 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.805 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -75.71 131.21 39.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.89 53.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.662 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.06 39.95 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.436 HH11 ' HG3' ' B' ' 54' ' ' ARG . 59.3 mtt85 -154.0 138.76 17.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 m -66.65 156.64 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.076 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.606 HD22 HD12 ' B' ' 61' ' ' ILE . 96.1 mt -65.31 -38.25 89.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.259 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.5 t -51.81 -40.04 59.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.88 -43.97 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.94 -29.82 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.411 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 65.4 46.01 2.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.008 0.432 . . . . 0.0 110.269 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.606 HD12 HD22 ' B' ' 56' ' ' LEU . 67.8 mt -60.35 133.65 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.52 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.407 ' HB2' ' OG ' ' B' ' 65' ' ' SER . 12.6 mm100 -68.68 153.73 43.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.822 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.592 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 4.8 ttmp? -63.88 132.67 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.588 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 55.4 mt-10 61.96 41.29 11.44 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.55 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' B' ' 62' ' ' GLN . 58.3 m -82.75 142.8 31.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 111.305 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.431 ' C ' HD12 ' B' ' 67' ' ' LEU . 98.2 m -90.28 131.27 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.119 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.772 HD23 HD23 ' B' ' 43' ' ' LEU . 8.8 mp -111.48 124.96 53.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.669 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 91.0 m-70 -78.28 131.59 37.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.694 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -110.78 138.51 47.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.597 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.887 HG11 HG13 ' A' ' 263' ' ' ILE . 23.0 t -130.44 130.09 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.9 mm? -83.42 126.28 32.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.977 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.491 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 45.4 ttm-85 -70.28 116.31 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.58 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.19 131.94 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.481 ' O ' ' HD2' ' B' ' 74' ' ' ARG . 4.1 tmm_? -176.72 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.184 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.61 -136.66 2.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.575 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.57 -179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.631 0.253 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.12 138.82 63.69 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.125 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 66.47 135.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 261' ' ' GLU . 2.7 p30 -74.68 13.94 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.675 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.86 -37.52 87.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 0.0 111.355 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 57.3 mm-40 -56.7 -46.9 80.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.733 ' HG3' HD22 ' A' ' 262' ' ' LEU . 15.4 pt-20 -59.51 -40.73 88.06 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.309 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.748 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.8 mm? -65.43 -48.23 73.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.716 HG13 HG11 ' B' ' 70' ' ' VAL . 16.6 mt -57.27 -57.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.371 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.1 ptp180 -61.5 -37.76 84.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.402 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 24.8 ttpp -54.39 -48.64 71.32 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.03 -33.39 75.94 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.558 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 263' ' ' ILE . 67.9 mt -61.34 -46.79 95.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.869 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 17.6 tp10 -63.51 -43.45 97.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.5 mt -56.27 -43.81 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.816 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 50.5 m -64.31 -45.38 88.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 94.1 mt -58.56 -40.26 82.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.535 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 3.9 mmmp? -55.95 -48.92 74.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.281 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -68.81 -46.91 67.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.3 p -79.76 55.66 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -51.97 133.97 32.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.821 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.4 m120 58.34 45.7 16.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 57.8 m 57.67 -143.98 0.65 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.137 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.423 ' SD ' ' HB2' ' B' ' 19' ' ' SER . 24.8 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -92.43 125.32 37.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.064 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.58 HD12 HD12 ' B' ' 67' ' ' LEU . 32.1 pt -113.31 136.11 50.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.591 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 104.3 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 111.632 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.14 131.25 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.912 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' B' ' 6' ' ' LYS . 5.6 ttpm? -140.39 132.87 28.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.428 . . . . 0.0 111.609 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.756 HG22 HD22 ' B' ' 69' ' ' LEU . 59.7 p -87.09 125.99 34.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.828 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp 51.87 -103.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 23.9 m -153.46 58.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.32 -59.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.51 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 26.6 tptp -81.24 118.69 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.998 0.399 . . . . 0.0 111.067 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -113.54 137.97 50.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.648 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -150.38 141.18 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.756 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 90.8 m -85.93 141.66 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.204 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.486 HD13 ' C ' ' B' ' 15' ' ' LEU . 3.1 tm? -146.6 116.9 7.41 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.239 0.542 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -79.92 137.23 36.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.459 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.883 HG21 HG22 ' B' ' 26' ' ' VAL . 11.1 p -163.23 131.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.193 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.66 137.22 55.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.118 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.585 ' HA ' HD12 ' B' ' 56' ' ' LEU . 46.4 t -60.25 -39.8 88.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.77 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.5 p -57.88 -41.24 82.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -57.81 134.6 56.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.451 ' O ' HG23 ' B' ' 26' ' ' VAL . 80.1 p -66.39 177.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.449 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 50' ' ' LEU . 46.5 mm -62.14 -44.9 99.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.251 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -51.01 -45.67 61.27 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.811 0.338 . . . . 0.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.479 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.98 -42.02 93.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.121 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.883 HG22 HG21 ' B' ' 17' ' ' VAL . 51.5 t -57.46 -43.8 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.24 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' B' ' 43' ' ' LEU . 34.3 mmtp -63.24 -37.5 87.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -58.53 -47.3 84.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.9 mttm -61.53 -46.54 89.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.424 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.71 -38.79 79.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.613 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.8 tt0 -60.77 -45.74 93.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -65.43 -40.23 93.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.12 -70.53 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.168 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -72.59 -38.01 67.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.471 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 90.7 46.63 3.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.632 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.471 HD13 ' O ' ' B' ' 35' ' ' GLY . 34.8 mm -126.76 135.66 27.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.2 . . . . 0.0 110.911 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' HD2' ' OE1' ' B' ' 40' ' ' GLN . 50.2 Cg_exo -53.64 137.2 66.42 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.52 2.147 . . . . 0.0 112.263 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.7 Cg_exo -58.97 -48.19 15.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.646 2.23 . . . . 0.0 112.719 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.09 -41.92 99.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.249 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' OE1' ' HD2' ' B' ' 37' ' ' PRO . 53.4 tt0 -59.23 -56.54 20.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.623 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.3 pt20 -79.74 135.56 36.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 0.0 111.566 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 263' ' ' ILE . 99.2 mtt180 -118.7 113.76 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 67' ' ' LEU . 32.4 tp -86.85 119.89 27.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.234 0.54 . . . . 0.0 111.121 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.463 HD11 HG23 ' A' ' 263' ' ' ILE . 61.3 mt -107.03 143.44 17.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.562 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -148.92 136.47 20.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.127 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.37 37.56 27.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.011 0.434 . . . . 0.0 110.711 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.05 34.06 86.45 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.606 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -153.1 130.45 11.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.442 HE21 HG12 ' B' ' 44' ' ' ILE . 2.9 tp-100 -64.15 133.73 53.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.584 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 23' ' ' ILE . 93.4 mt -62.69 126.01 25.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.736 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.0 mt-10 -77.5 127.79 33.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -62.91 137.03 58.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.953 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.51 33.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.888 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.736 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 2.6 mmp_? -129.82 131.48 46.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.947 0.404 . . . . 0.0 110.623 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -74.12 137.52 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.614 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.629 HD22 HD12 ' B' ' 61' ' ' ILE . 80.9 mt -63.63 -29.81 71.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.802 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -51.96 -44.6 64.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.16 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -58.42 -40.11 81.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.485 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -71.76 -27.32 62.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.016 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.9 m120 64.8 42.44 4.52 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.361 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.629 HD12 HD22 ' B' ' 56' ' ' LEU . 65.0 mt -61.75 130.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.438 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' B' ' 65' ' ' SER . 18.6 pt20 -79.83 146.25 32.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.7 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.624 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -56.2 140.56 44.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.522 179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 65.67 40.42 4.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.716 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 89.2 p -80.3 140.15 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.363 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.445 ' O ' HD23 ' B' ' 67' ' ' LEU . 88.0 m -84.35 130.18 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.658 ' HB3' HD11 ' B' ' 43' ' ' LEU . 55.8 mt -125.43 135.1 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.582 ' O ' HD12 ' B' ' 43' ' ' LEU . 91.1 m-70 -93.91 132.84 37.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.642 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.868 HD21 ' HG ' ' B' ' 71' ' ' LEU . 4.5 tt -104.37 140.44 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.645 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.748 HG13 ' HB3' ' A' ' 262' ' ' LEU . 56.8 t -136.53 96.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.956 0.408 . . . . 0.0 110.392 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.868 ' HG ' HD21 ' B' ' 69' ' ' LEU . 71.9 mt -69.97 130.09 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.97 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 72' ' ' ARG . 50.8 ttt-85 -56.05 115.34 2.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.759 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 tp 61.28 133.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.505 ' HG3' ' OD1' ' A' ' 258' ' ' ASP . 24.9 mtm105 -60.68 134.29 56.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.07 45.78 2.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.716 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.66 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 256' ' ' PRO . 34.8 t80 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.533 0.206 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 255' ' ' TYR . 30.8 Cg_endo -64.12 134.43 42.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.558 2.172 . . . . 0.0 112.399 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.466 ' OE2' HD22 ' B' ' 73' ' ' LEU . 5.6 tp10 -64.73 132.28 49.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.79 -38.45 70.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 72' ' ' ARG . 86.7 tt0 -59.92 -45.97 90.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 95.7 mt-10 -57.61 -34.84 69.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 5.4 tp10 -59.21 -53.68 55.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.394 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' B' ' 8' ' ' LEU . 3.5 mm? -64.45 -42.52 95.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.868 HG13 HG11 ' B' ' 70' ' ' VAL . 24.6 mt -56.62 -52.08 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.563 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.474 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.2 ptp180 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.162 -0.215 . . . . 0.0 111.489 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 28.7 mtpp -54.76 -40.53 69.46 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.66 78.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.442 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 263' ' ' ILE . 45.4 mm -58.71 -50.37 79.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.793 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.63 -45.82 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 273' ' ' GLU . 96.9 mt -58.44 -43.81 88.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.614 ' HB3' ' H ' ' B' ' 46' ' ' ALA . 49.2 m -62.28 -45.89 91.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.5 mt -58.37 -45.21 88.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.229 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.47 -44.26 94.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 269' ' ' LEU . 95.8 mt-10 -58.13 -43.34 87.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 66.4 m -64.74 128.73 37.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -78.2 -39.55 40.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 277' ' ' SER . 5.6 m120 -55.39 -47.66 75.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 276' ' ' ASN . 53.2 m 74.0 -43.43 0.54 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.584 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.332 -0.842 . . . . 0.0 111.262 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.89 0.376 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -72.14 146.57 47.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.551 HD13 HG21 ' B' ' 17' ' ' VAL . 48.7 pt -146.94 142.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.46 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' B' ' 66' ' ' THR . 50.2 m-85 -97.39 129.78 44.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.42 . . . . 0.0 112.071 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' B' ' 12' ' ' THR . 61.5 t -99.87 124.2 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.556 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 84.5 tttt -120.96 127.53 51.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.004 0.431 . . . . 0.0 111.482 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.435 HG22 HD22 ' B' ' 69' ' ' LEU . 66.5 p -88.58 150.53 23.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.645 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.86 ' HB3' HD12 ' A' ' 262' ' ' LEU . 3.8 mm? -75.24 53.43 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.348 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -152.3 -46.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.281 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.32 59.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.214 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 62.9 tttp -159.98 141.52 12.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.999 0.4 . . . . 0.0 111.683 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 67.0 m -149.53 129.73 13.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.169 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.445 HD13 ' O ' ' B' ' 12' ' ' THR . 42.7 mm -139.3 144.17 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.3 m -67.18 146.24 54.42 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.432 178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.633 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.1 tm? -157.0 117.08 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.039 0.447 . . . . 0.0 110.556 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.49 132.76 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.645 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 27.0 m -143.27 130.72 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.028 0.442 . . . . 0.0 111.642 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 5.0 mm-40 -88.45 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.694 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.579 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -56.65 -40.41 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -61.95 -46.36 89.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.271 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.462 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -61.28 133.65 56.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.11 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -69.11 -173.47 0.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.502 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.463 HD12 HD13 ' B' ' 50' ' ' LEU . 47.1 mm -72.22 -43.98 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.53 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -52.83 -40.75 63.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.945 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.94 -42.21 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.149 0.5 . . . . 0.0 109.655 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.733 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 59.1 t -61.2 -39.75 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.329 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.615 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.4 mmtp -61.65 -41.56 97.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.818 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 46.4 t -64.59 -40.28 95.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' B' ' 26' ' ' VAL . 50.7 mtmt -67.99 -43.8 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.762 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.633 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.5 mt -66.41 -44.7 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.274 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' B' ' 28' ' ' SER . 17.6 pt20 -62.68 -39.04 92.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.43 -45.18 80.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.441 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -74.56 -63.31 1.27 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' OE2' HG23 ' B' ' 30' ' ' ILE . 50.7 mt-10 -68.42 -37.45 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.79 51.16 3.5 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.074 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.28 133.37 18.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.43 0.157 . . . . 0.0 110.59 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.503 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 9.2 Cg_endo -52.36 134.0 50.12 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.599 2.199 . . . . 0.0 112.188 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 37.4 Cg_endo -65.51 -42.16 13.39 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.645 2.23 . . . . 0.0 112.647 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -57.97 -45.95 85.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.82 -57.01 11.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.496 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 26.2 pt20 -65.69 129.5 39.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.701 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 46.7 mtp85 -122.5 122.15 38.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 99.2 mt -79.43 139.65 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.11 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.667 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 68.7 mt -135.31 138.49 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -161.82 138.95 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.561 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.614 ' H ' ' HB3' ' A' ' 270' ' ' SER . . . 53.04 39.07 28.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 59.87 35.77 87.83 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.464 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -151.84 126.58 9.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.536 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -72.86 132.71 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.383 179.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.463 HD13 HD12 ' B' ' 23' ' ' ILE . 78.2 mt -65.53 124.97 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 110.903 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.62 139.93 42.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -76.45 49.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.689 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.54 47.17 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.78 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 54' ' ' ARG . 20.4 mmt85 -151.43 138.51 19.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.953 0.406 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -71.04 144.86 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.477 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.627 HD22 HD12 ' B' ' 61' ' ' ILE . 93.4 mt -63.31 -32.12 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.67 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -51.67 -47.33 63.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.656 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.82 -45.0 82.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.744 0.307 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 54' ' ' ARG . 10.1 m-85 -64.92 -31.66 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 63.29 49.85 3.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.265 0.555 . . . . 0.0 109.775 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.627 HD12 HD22 ' B' ' 56' ' ' LEU . 61.9 mt -68.44 133.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.405 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' HB2' ' B' ' 65' ' ' SER . 18.8 pt20 -69.25 149.84 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.172 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.81 147.99 21.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 44.02 42.52 4.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.551 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.416 ' HB2' ' HG3' ' B' ' 62' ' ' GLN . 47.2 t -77.6 143.57 38.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.021 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 90.2 m -93.65 97.34 10.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.711 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.432 HD12 HD12 ' B' ' 3' ' ' ILE . 86.8 mt -82.76 129.71 35.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.667 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.0 m-70 -73.35 148.32 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.494 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.6 tt -133.44 125.38 28.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.425 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 263' ' ' ILE . 49.8 t -117.64 128.19 74.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.202 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.53 ' N ' HD12 ' B' ' 71' ' ' LEU . 5.5 mp -79.35 125.2 29.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 111.08 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' A' ' 259' ' ' GLU . 16.2 tpp85 -57.35 144.21 36.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.49 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.466 HD22 ' OE2' ' A' ' 257' ' ' GLU . 60.8 tp -48.35 137.02 11.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.977 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -54.94 -47.53 74.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.958 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.61 134.89 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.677 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.593 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.683 0.278 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.35 137.33 50.83 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.686 2.257 . . . . 0.0 112.538 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -60.9 131.63 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -66.03 -37.82 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.448 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 0.3 OUTLIER -60.97 -49.43 77.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.762 0.315 . . . . 0.0 111.034 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.57 -39.82 92.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 265' ' ' LYS . 17.5 tp10 -60.7 -49.93 75.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.755 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 96.5 mt -58.94 -45.91 89.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.947 HG13 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -57.23 -53.76 39.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.392 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.445 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.3 ptm180 -63.78 -38.03 89.58 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.232 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 261' ' ' GLU . 4.9 mmmp? -54.71 -42.17 71.19 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.41 79.96 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.417 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 263' ' ' ILE . 48.0 mm -60.03 -49.61 83.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.163 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 4.9 mm-40 -65.2 -46.34 81.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.528 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 96.3 mt -55.71 -44.1 77.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 -44.3 84.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 93.7 mt -59.02 -39.43 81.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.547 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.5 mmmm -62.56 -41.44 98.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.438 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -63.12 -52.57 62.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.482 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 48.8 m -64.33 -44.96 89.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.269 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.521 ' HG2' ' H ' ' A' ' 276' ' ' ASN . 32.7 ttt85 58.12 -133.15 1.15 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.186 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.521 ' H ' ' HG2' ' A' ' 275' ' ' ARG . 3.0 m120 -71.06 -53.89 13.11 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.692 0.282 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 34.9 t -179.3 44.57 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.703 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.097 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.753 HE21 ' HG2' ' B' ' 64' ' ' GLU . 19.4 pt20 -85.76 146.34 26.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 17' ' ' VAL . 40.3 pt -144.73 140.89 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' B' ' 66' ' ' THR . 18.2 m-85 -98.85 129.86 45.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.991 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' B' ' 12' ' ' THR . 97.5 t -90.11 115.88 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -100.75 132.43 46.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.029 0.442 . . . . 0.0 111.626 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -100.38 148.37 24.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.78 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.755 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 4.4 mm? -51.5 -34.55 36.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.042 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.8 p -61.78 -50.04 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.15 58.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.805 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -149.71 128.35 12.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.3 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 61.1 p -115.3 137.38 52.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 68.1 mt -133.53 136.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.184 0.516 . . . . 0.0 112.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.9 m -63.19 144.49 56.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.44 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.0 OUTLIER -154.98 115.2 3.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.872 179.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -74.74 134.24 41.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.113 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.482 HG11 HG13 ' B' ' 26' ' ' VAL . 24.6 m -150.07 130.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.234 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.6 mt-10 -87.76 140.67 29.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.627 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.62 ' HB2' ' HB3' ' B' ' 57' ' ' SER . 83.3 p -53.66 -39.98 65.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -59.72 -45.07 93.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -58.07 136.49 57.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.3 p -78.7 -158.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.363 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.688 HG21 ' O ' ' B' ' 51' ' ' GLU . 47.3 mm -78.01 -41.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.766 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.48 -42.19 77.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' ASP . 3.4 m120 -59.2 -47.17 86.31 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.537 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.482 HG13 HG11 ' B' ' 17' ' ' VAL . 60.3 t -61.32 -39.02 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.323 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 72.6 mmtt -62.28 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.452 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -62.37 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.262 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 95.8 mttt -62.02 -47.94 82.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.781 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.603 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.8 mt -63.89 -39.23 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.66 -43.64 97.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -65.04 -47.22 78.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -74.12 -65.96 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.81 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.62 -35.46 77.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.923 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.76 46.9 6.98 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.765 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -139.49 134.23 16.25 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-O 120.525 0.203 . . . . 0.0 110.988 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 49.4 Cg_exo -55.67 137.17 77.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.395 2.063 . . . . 0.0 111.988 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 19.7 Cg_endo -58.68 -42.17 56.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.697 2.265 . . . . 0.0 112.709 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.06 -45.67 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.541 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.22 -55.29 22.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.6 pt20 -63.3 128.08 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.584 ' HA ' ' HE ' ' B' ' 42' ' ' ARG . 3.2 mmp_? -111.67 126.01 54.57 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.797 ' HG ' ' HZ1' ' B' ' 27' ' ' LYS . 95.1 mt -90.36 134.49 34.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.257 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.679 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 66.9 mt -135.21 135.38 52.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.688 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -163.53 139.42 6.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.62 39.52 28.38 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.05 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 37.58 82.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.109 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -146.99 131.7 17.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.947 0.403 . . . . 0.0 111.07 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.579 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.4 mm100 -77.03 127.39 32.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.556 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 8.7 mp -70.8 131.77 44.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.94 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.688 ' O ' HG21 ' B' ' 23' ' ' ILE . 87.2 mt-10 -68.71 -148.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.846 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.511 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 56.5 m-20 -151.3 45.34 0.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.56 45.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.641 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -147.13 138.42 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.39 . . . . 0.0 110.935 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 75.6 p -62.02 137.97 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.44 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' B' ' 26' ' ' VAL . 87.8 mt -60.77 -33.1 72.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.216 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.62 ' HB3' ' HB2' ' B' ' 19' ' ' SER . 80.6 p -51.38 -35.92 41.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -68.46 -42.41 78.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.98 -27.45 68.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.415 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 66.53 44.12 2.39 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.808 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.0 mt -73.16 131.13 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.547 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 2.2 mp0 -73.54 143.53 46.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.493 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -61.37 143.85 55.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.737 0.303 . . . . 0.0 110.522 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.753 ' HG2' HE21 ' B' ' 2' ' ' GLN . 47.1 mt-10 63.4 36.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.875 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -89.43 140.76 29.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 28.0 p -90.82 103.58 16.27 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -82.65 125.83 31.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.402 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.679 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 91.4 m-70 -73.39 127.07 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.686 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' B' ' 42' ' ' ARG . 6.4 tt -114.64 124.98 53.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.947 HG11 HG13 ' A' ' 263' ' ' ILE . 11.7 t -122.44 128.69 75.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.404 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.4 mm? -72.2 125.28 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.419 ' HD2' ' HD2' ' B' ' 42' ' ' ARG . 79.7 ttt180 -94.03 136.67 34.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.151 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.448 ' HG ' ' HG2' ' A' ' 259' ' ' GLU . 95.5 mt -59.91 137.03 58.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 66.06 135.57 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.108 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.09 135.46 2.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.544 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.585 0.231 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.767 ' HB2' ' HB2' ' A' ' 260' ' ' GLU . 25.3 Cg_endo -61.83 138.13 72.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.536 2.157 . . . . 0.0 112.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -144.61 -64.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -75.6 -40.64 56.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.43 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.465 ' OE1' HD13 ' B' ' 73' ' ' LEU . 42.1 mp0 -72.19 -37.59 69.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.07 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.767 ' HB2' ' HB2' ' A' ' 256' ' ' PRO . 44.5 tt0 -59.19 -44.42 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.19 -44.47 95.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.873 HD21 ' HG ' ' B' ' 8' ' ' LEU . 48.5 tp -66.17 -42.42 88.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.084 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.961 HG13 HG11 ' B' ' 70' ' ' VAL . 1.3 mt -57.75 -54.13 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.7 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -64.6 -30.03 71.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 21.2 ttmm -54.81 -51.11 66.82 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.87 -36.75 84.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.595 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.791 HG23 ' HA2' ' B' ' 47' ' ' GLY . 72.2 mt -56.01 -47.11 80.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.76 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -66.41 -41.51 89.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 92.4 mt -57.92 -43.43 86.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 47.5 t -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.644 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.73 -40.11 86.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.04 -49.03 74.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -66.89 -51.56 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.023 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.7 ' HA ' ' HB3' ' A' ' 278' ' ' ALA . 46.9 t -84.12 48.03 1.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.124 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 275' ' ' ARG . 40.7 ttt85 -62.69 -46.64 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.017 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -175.63 53.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.595 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 41.5 t -172.61 -49.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.194 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 274' ' ' SER . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.252 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.63 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 85.8 mt-30 -145.93 133.71 21.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.473 HD11 HG21 ' B' ' 17' ' ' VAL . 34.7 pt -115.84 154.59 17.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.914 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.547 ' HB3' ' OG1' ' B' ' 12' ' ' THR . 23.7 m-85 -110.42 139.4 45.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.999 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.8 t -106.96 111.03 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.309 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -89.12 126.36 35.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.189 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.2 p -82.26 140.61 33.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.46 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.873 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.6 tm? -50.75 -36.23 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.37 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.8 p -61.13 -50.35 73.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 55.3 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.212 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -158.76 117.16 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.958 0.409 . . . . 0.0 111.552 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.547 ' OG1' ' HB3' ' B' ' 4' ' ' PHE . 7.2 t -101.73 140.22 36.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.767 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 mm -122.37 141.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -68.81 136.79 53.28 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.493 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.63 HD12 HG23 ' B' ' 17' ' ' VAL . 1.0 OUTLIER -147.5 118.07 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.413 179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -69.64 127.83 34.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.947 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.63 HG23 HD12 ' B' ' 15' ' ' LEU . 4.4 t -145.75 125.42 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 120.951 0.405 . . . . 0.0 111.538 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -75.47 150.82 38.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.048 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -56.54 -50.38 72.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.607 0.242 . . . . 0.0 111.095 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -92.31 39.06 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.422 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' B' ' 55' ' ' THR . 11.7 p-10 -78.27 -148.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 45.1 p -154.28 137.86 16.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.32 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.717 HG21 ' O ' ' B' ' 51' ' ' GLU . 43.1 mm -52.23 -38.89 25.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.772 0.32 . . . . 0.0 110.788 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.99 -48.51 73.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 45.9 t30 -61.58 -41.53 97.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.578 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.504 ' O ' HG13 ' B' ' 30' ' ' ILE . 67.6 t -57.48 -45.69 85.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.831 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.818 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 73.1 mmtt -62.55 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.8 t -58.46 -48.75 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.02 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 49.0 mtpt -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 26' ' ' VAL . 81.5 mt -58.59 -42.09 83.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.412 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.435 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 54.5 tt0 -61.38 -40.22 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.326 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.55 -40.29 96.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -69.93 -68.72 0.4 Allowed 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -76.22 -39.71 53.91 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.438 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 91.62 44.45 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.422 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.567 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 35.3 mm -125.7 137.8 30.7 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.665 -0.268 . . . . 0.0 110.788 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.472 ' HB2' ' HG2' ' B' ' 40' ' ' GLN . 51.7 Cg_exo -53.04 137.11 62.29 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.287 1.991 . . . . 0.0 111.997 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.818 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -62.54 -46.64 11.21 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.67 2.247 . . . . 0.0 112.891 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -56.91 -43.37 81.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' B' ' 37' ' ' PRO . 99.1 mm-40 -60.34 -49.44 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.567 ' NE2' ' HB ' ' B' ' 36' ' ' ILE . 67.2 mt-30 -66.82 133.32 49.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.1 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.544 ' HE ' ' HD3' ' B' ' 72' ' ' ARG . 37.6 mmt180 -118.14 119.84 35.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.782 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.603 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 91.3 mt -90.39 135.52 33.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 75.4 mt -130.55 138.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -161.65 140.95 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.04 39.53 15.13 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.791 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 58.95 41.9 96.54 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.83 133.86 11.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.946 0.403 . . . . 0.0 111.174 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -73.43 130.6 40.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 3.7 mm? -70.48 131.88 44.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.592 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.717 ' O ' HG21 ' B' ' 23' ' ' ILE . 74.4 mt-10 -68.35 -145.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.576 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.535 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 38.7 t70 -163.36 49.94 0.15 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.56 43.75 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.649 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.958 0.409 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' B' ' 21' ' ' ASP . 81.8 p -66.81 134.82 52.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.037 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.517 HD22 HD12 ' B' ' 61' ' ' ILE . 81.6 mt -63.37 -21.42 66.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -51.42 -41.16 60.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.013 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -68.74 -39.11 80.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.977 0.418 . . . . 0.0 110.542 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.425 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.4 m-85 -61.65 -28.45 69.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.096 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.02 39.38 2.5 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.517 HD12 HD22 ' B' ' 56' ' ' LEU . 56.8 mt -70.02 131.18 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.466 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' B' ' 65' ' ' SER . 25.6 pt20 -72.57 143.89 48.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -57.19 144.74 33.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.997 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 61.6 40.01 13.92 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.633 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' B' ' 62' ' ' GLN . 88.0 p -80.53 136.7 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.195 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.405 ' C ' HD12 ' B' ' 67' ' ' LEU . 92.9 m -92.92 123.8 36.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.569 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.0 mp -111.87 130.13 55.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.2 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.9 m-70 -77.12 128.87 35.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.73 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.626 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.0 tt -103.19 136.01 43.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.793 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.961 HG11 HG13 ' A' ' 263' ' ' ILE . 41.3 t -132.37 129.37 59.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.308 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.1 mm? -74.34 129.53 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.055 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HD3' ' HE ' ' B' ' 42' ' ' ARG . 35.0 tpt85 -66.6 142.2 57.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' B' ' 74' ' ' ARG . 61.3 tp -56.9 136.67 55.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.858 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 37.0 mmt180 61.18 -127.39 0.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.28 -134.36 39.37 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 2.4 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.583 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 7.4 Cg_exo -74.28 51.0 2.4 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.208 2.605 . . . . 0.0 112.868 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 260' ' ' GLU . 50.9 mt-10 -146.4 45.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.075 0.464 . . . . 0.0 110.719 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' B' ' 73' ' ' LEU . 24.7 m-20 -63.79 -20.98 66.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -59.73 -49.12 78.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.668 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 257' ' ' GLU . 8.8 mp0 -65.77 -45.76 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.222 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 264' ' ' ARG . 4.9 tp10 -60.78 -42.86 98.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.678 HD12 HG13 ' B' ' 70' ' ' VAL . 2.2 tm? -65.08 -46.56 80.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.393 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 1.04 HG13 HG11 ' B' ' 70' ' ' VAL . 3.7 mt -57.49 -54.42 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.52 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 267' ' ' ILE . 0.0 OUTLIER -62.78 -39.01 92.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.172 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.562 ' HE3' HD22 ' A' ' 262' ' ' LEU . 27.0 ttpp -56.17 -46.93 79.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 269' ' ' LEU . . . -65.12 -31.29 72.42 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.527 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.671 HG23 ' HA2' ' B' ' 47' ' ' GLY . 53.1 mt -60.0 -48.65 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.57 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 95.9 mt-10 -64.19 -42.59 96.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.375 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.2 mt -56.12 -46.85 79.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.019 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 77.0 p -64.91 -41.84 95.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 97.3 mt -57.82 -38.31 75.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 14.4 mmmm -60.25 -44.22 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -62.34 -47.76 82.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 90.3 p -59.8 -39.35 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.584 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' A' ' 277' ' ' SER . 29.9 tpt180 65.74 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.563 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 6.3 m120 53.76 46.82 25.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.863 0.364 . . . . 0.0 110.642 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . 0.418 ' H ' ' HG3' ' A' ' 275' ' ' ARG . 63.9 m 60.12 45.13 12.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.811 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.136 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.423 0.154 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.562 HE22 ' NZ ' ' B' ' 63' ' ' LYS . 3.1 pm0 -152.76 140.19 19.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 pt -122.81 147.82 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.272 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' B' ' 66' ' ' THR . 6.7 m-85 -84.07 137.26 33.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.045 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 12' ' ' THR . 47.4 t -112.08 110.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' B' ' 12' ' ' THR . 21.8 ttpp -88.0 124.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.629 HG22 HD22 ' B' ' 69' ' ' LEU . 43.1 p -78.83 144.67 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.283 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.557 HD13 ' O ' ' B' ' 8' ' ' LEU . 3.2 tm? -47.19 -36.95 9.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.198 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -63.59 -44.52 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.59 58.25 0.08 OUTLIER Glycine 0 C--N 1.333 0.399 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.052 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -151.31 112.44 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.017 0.437 . . . . 0.0 111.224 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.547 HG22 ' HB2' ' B' ' 6' ' ' LYS . 70.8 p -89.2 140.63 29.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.976 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.466 HD12 ' OE2' ' B' ' 34' ' ' GLU . 61.6 mt -140.56 131.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.991 0.424 . . . . 0.0 111.635 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 63.4 m -65.01 138.03 58.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.234 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.546 HD12 HG13 ' B' ' 17' ' ' VAL . 1.1 tm? -144.27 116.7 8.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.043 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 130.09 41.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.931 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.636 HG11 HG13 ' B' ' 26' ' ' VAL . 16.5 m -151.9 126.96 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.129 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 4.9 mm-40 -75.94 141.49 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.701 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.5 m -52.73 -44.35 66.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.955 0.407 . . . . 0.0 110.726 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -69.7 -31.98 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.972 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 38.8 t70 -52.42 132.35 34.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.408 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HB ' ' HA2' ' B' ' 53' ' ' GLY . 65.3 p -72.52 152.3 41.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.585 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 54' ' ' ARG . 45.4 mm -54.11 -41.67 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.574 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.5 t0 -52.08 -49.38 63.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.65 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.433 ' OD1' ' HE2' ' B' ' 29' ' ' LYS . 24.8 t-20 -59.16 -40.98 87.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.146 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.636 HG13 HG11 ' B' ' 17' ' ' VAL . 64.2 t -55.02 -43.53 70.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.956 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.751 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.214 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 57.3 m -56.52 -46.34 80.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.477 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' B' ' 25' ' ' ASN . 67.8 mttm -61.23 -46.08 91.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.353 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.548 HG22 HE22 ' B' ' 41' ' ' GLN . 69.4 mt -59.02 -36.96 64.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.2 179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -64.2 -41.76 96.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.14 -45.76 87.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.483 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.57 -60.99 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.973 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' OE2' HD12 ' B' ' 13' ' ' ILE . 51.2 mm-40 -68.34 -41.91 80.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.207 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.46 48.45 4.52 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.691 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 73.3 mt -138.78 135.7 18.0 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.167 . . . . 0.0 110.864 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 72.5 Cg_exo -48.67 128.5 18.52 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.465 2.11 . . . . 0.0 112.145 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.751 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.2 Cg_exo -55.84 -45.06 41.71 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.477 2.118 . . . . 0.0 112.288 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.51 -45.68 80.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.41 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.19 -36.66 84.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.661 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.548 HE22 HG22 ' B' ' 30' ' ' ILE . 66.2 mt-30 -73.4 130.84 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.642 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 0.3 OUTLIER -128.92 119.91 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.677 179.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 95.3 mt -101.06 141.24 34.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.557 HD11 HG12 ' A' ' 263' ' ' ILE . 64.7 mt -133.22 143.59 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -152.7 136.99 16.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.756 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.97 37.13 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.671 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 79.01 -31.32 2.03 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.897 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -84.78 127.84 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.03 0.443 . . . . 0.0 111.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -76.88 139.23 40.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 179.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.765 HD11 HD23 ' B' ' 67' ' ' LEU . 59.3 mt -69.33 125.41 26.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.194 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' B' ' 54' ' ' ARG . 94.4 mt-10 -91.36 128.05 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.643 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.509 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 12.2 p-10 -56.7 141.04 45.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.574 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 87.28 -27.31 6.29 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.003 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.533 ' O ' HG12 ' B' ' 23' ' ' ILE . 10.5 mpt_? -66.84 141.62 57.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.585 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 76.1 p -76.23 141.25 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.636 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.603 HD22 HD12 ' B' ' 61' ' ' ILE . 96.5 mt -65.6 -37.55 86.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -51.68 -42.9 62.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.495 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.37 -40.32 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -72.19 -30.66 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.92 45.7 5.33 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.603 HD12 HD22 ' B' ' 56' ' ' LEU . 63.8 mt -62.18 131.7 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.397 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -67.82 145.42 54.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.562 ' NZ ' HE22 ' B' ' 2' ' ' GLN . 57.9 tttp -55.89 132.56 49.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.946 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.466 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 95.3 mt-10 58.85 40.08 23.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.179 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.9 t -81.42 143.31 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.602 ' C ' HD12 ' B' ' 67' ' ' LEU . 46.9 p -88.56 133.56 34.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.765 HD23 HD11 ' B' ' 50' ' ' LEU . 6.8 mp -122.63 133.32 54.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.878 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 270' ' ' SER . 22.0 m170 -73.77 131.77 41.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.963 0.411 . . . . 0.0 111.635 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.629 HD22 HG22 ' B' ' 7' ' ' THR . 21.6 tp -93.8 146.52 23.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.91 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.04 HG11 HG13 ' A' ' 263' ' ' ILE . 47.8 t -143.51 117.68 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -98.41 120.26 38.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.55 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -73.25 136.57 44.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.464 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 258' ' ' ASP . 6.9 mp -63.65 127.06 29.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 111.045 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -76.9 -42.9 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.07 -42.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.526 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 24.9 t80 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.746 0.308 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.45 131.51 32.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.3 2.0 . . . . 0.0 112.074 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.15 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.845 ' HB2' HD11 ' B' ' 73' ' ' LEU . 1.5 m-20 -60.32 -40.87 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.53 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.5 -48.03 83.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.848 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -62.96 -40.25 97.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.509 ' HG3' HH21 ' A' ' 264' ' ' ARG . 89.2 tt0 -60.87 -45.3 95.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.858 HD12 HG13 ' B' ' 70' ' ' VAL . 2.7 tm? -65.51 -47.69 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.993 HG13 HG11 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -58.12 -49.03 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.308 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.61 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.3 ppt_? -63.52 -35.16 79.54 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.65 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.61 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 40.1 ttmt -56.36 -48.19 77.33 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.11 -34.14 76.96 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.387 177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.654 HD11 ' NE2' ' B' ' 49' ' ' GLN . 36.4 mm -61.18 -42.48 93.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.401 179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 43.5 tt0 -63.55 -50.38 69.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.866 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.429 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 88.8 mt -59.08 -47.71 84.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.4 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 37.6 t -60.05 -44.81 94.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.731 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.0 mt -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.484 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 74.9 mmtt -56.85 -43.8 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -61.85 -51.05 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 278' ' ' ALA . 52.5 m -85.99 39.09 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.975 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -70.01 -42.66 72.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.54 HD22 ' H ' ' A' ' 277' ' ' SER . 0.8 OUTLIER -169.34 135.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . 0.54 ' H ' HD22 ' A' ' 276' ' ' ASN . 39.6 t 59.77 44.4 14.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 274' ' ' SER . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.831 0.348 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -82.64 143.86 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' LEU . 40.8 pt -146.25 141.38 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.376 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.471 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 41.2 m-85 -106.56 134.21 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.082 0.468 . . . . 0.0 112.149 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' B' ' 12' ' ' THR . 48.4 t -106.72 121.42 59.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.767 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.677 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.1 135.93 41.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.133 0.492 . . . . 0.0 111.39 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.681 HG22 HD22 ' B' ' 69' ' ' LEU . 82.0 p -94.23 155.68 16.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.47 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.853 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.2 mm? -52.39 -38.12 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.967 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -61.85 -46.16 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.981 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.23 62.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.591 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.716 ' HE3' HD11 ' B' ' 13' ' ' ILE . 60.9 tttp -149.1 120.31 7.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.993 0.425 . . . . 0.0 111.411 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.653 HG22 ' HB3' ' B' ' 6' ' ' LYS . 74.1 p -102.17 137.52 40.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.463 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.716 HD11 ' HE3' ' B' ' 11' ' ' LYS . 50.7 mm -127.61 138.74 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -69.34 139.75 54.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.556 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.582 HD12 HG13 ' B' ' 17' ' ' VAL . 0.7 OUTLIER -152.71 121.74 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.018 0.437 . . . . 0.0 110.597 179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.469 ' N ' HD13 ' B' ' 15' ' ' LEU . 9.1 tm-20 -87.16 133.96 33.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.711 HG11 HG13 ' B' ' 26' ' ' VAL . 31.1 m -147.31 130.01 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 5.0 mm-40 -75.47 136.87 40.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.565 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t -58.06 -39.26 78.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -60.65 -47.36 86.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.253 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.541 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 61.7 m-20 -61.69 136.65 58.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.086 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.8 p -71.75 -152.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.38 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.2 mm -81.43 -39.45 17.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.354 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.36 -46.69 56.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.291 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.559 HD21 ' HE2' ' B' ' 29' ' ' LYS . 42.8 t30 -60.74 -44.29 96.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.577 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.711 HG13 HG11 ' B' ' 17' ' ' VAL . 58.3 t -57.26 -43.81 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.641 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.6 mmtp -64.19 -37.84 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.2 t -60.14 -48.43 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.401 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.559 ' HE2' HD21 ' B' ' 25' ' ' ASN . 67.7 mttm -61.83 -46.67 88.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' HG ' ' B' ' 15' ' ' LEU . 80.7 mt -61.63 -39.42 83.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 37' ' ' PRO . 52.0 tt0 -62.2 -43.79 98.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -64.79 -44.7 89.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -74.97 -65.96 0.81 Allowed 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.84 -36.38 84.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.114 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.23 49.35 5.0 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.05 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.7 mt -144.76 133.71 11.15 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.591 0.234 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 22.8 Cg_endo -61.04 141.25 93.64 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.6 Cg_exo -58.96 -37.59 92.68 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.79 2.327 . . . . 0.0 112.798 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.56 -46.87 83.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.642 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.09 -58.53 5.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.771 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -67.86 133.22 48.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 111.383 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.859 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 3.3 tpm_? -120.57 125.62 48.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.147 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.433 ' H ' ' CZ ' ' B' ' 42' ' ' ARG . 91.2 mt -94.22 139.01 31.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.967 0.413 . . . . 0.0 111.447 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.809 HD11 HG12 ' A' ' 263' ' ' ILE . 63.4 mt -135.2 140.98 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.695 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -160.26 138.45 10.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.591 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.06 39.04 28.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.723 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.08 36.4 90.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.488 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -150.69 127.28 10.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.809 0.338 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' B' ' 44' ' ' ILE . 14.2 mp0 -75.9 132.43 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.2 mp -70.54 131.96 44.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.978 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.553 ' O ' HG21 ' B' ' 23' ' ' ILE . 10.7 tt0 -65.97 -146.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.644 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 53.4 p-10 -156.49 45.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 174.55 44.86 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.599 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -148.62 138.07 21.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.886 0.374 . . . . 0.0 111.025 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 72.7 p -60.42 138.08 58.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.428 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.2 -27.7 68.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.5 p -51.7 -41.58 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.36 -47.33 86.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.412 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -67.61 -13.4 62.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.622 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.69 42.4 8.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.34 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 68.5 mt -62.73 120.93 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.036 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' B' ' 65' ' ' SER . 1.6 pm0 -71.91 144.19 49.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.994 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -53.71 148.24 10.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 61.62 38.84 15.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.76 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 40.7 t -86.48 137.59 32.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.426 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -87.01 133.64 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.189 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 79.4 mt -121.07 123.34 42.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 111.179 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.522 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 5.6 m80 -73.6 126.92 31.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.384 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.681 HD22 HG22 ' B' ' 7' ' ' THR . 20.7 tp -90.56 145.57 24.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.64 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.993 HG11 HG13 ' A' ' 263' ' ' ILE . 88.4 t -143.85 94.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.996 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 98.4 mt -72.87 131.42 42.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.723 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 72' ' ' ARG . 12.3 tpt180 -69.6 137.42 52.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.974 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.845 HD11 ' HB2' ' A' ' 258' ' ' ASP . 96.3 mt -61.52 134.44 56.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.737 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -61.48 131.65 50.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.759 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.57 97.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.564 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 1.9 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.567 0.222 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 31.4 Cg_exo -59.5 133.53 52.5 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.52 2.147 . . . . 0.0 112.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.634 ' HB2' ' HG3' ' A' ' 260' ' ' GLU . 56.6 mt-10 -65.04 140.08 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.58 -42.18 78.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.613 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 79.7 tt0 -58.29 -42.62 86.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.092 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 257' ' ' GLU . 54.9 mt-10 -59.61 -45.82 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.187 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 88.2 tt0 -63.84 -42.73 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.995 0.426 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.894 HD21 ' HG ' ' B' ' 8' ' ' LEU . 40.1 tp -63.81 -45.51 89.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.092 0.472 . . . . 0.0 110.436 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.834 HG13 HG11 ' B' ' 70' ' ' VAL . 21.7 mt -56.4 -49.91 74.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.177 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.506 ' O ' ' HB ' ' A' ' 267' ' ' ILE . 16.5 ptm180 -62.14 -36.46 81.87 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.668 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 68.2 mttm -54.61 -47.84 72.91 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.52 75.69 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.92 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 263' ' ' ILE . 40.2 mm -59.21 -49.77 82.21 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.856 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -62.61 -44.96 94.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.636 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 86.1 mt -57.2 -39.36 75.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.441 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.418 ' OG ' ' HD2' ' B' ' 68' ' ' HIS . 49.2 m -65.39 -45.06 85.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.92 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.3 mt -56.83 -45.27 82.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.142 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.771 ' HA ' ' HE3' ' A' ' 272' ' ' LYS . 0.0 OUTLIER -61.61 -42.93 99.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.24 -43.4 96.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 275' ' ' ARG . 55.7 m -57.44 -40.21 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 274' ' ' SER . 56.6 ttp180 74.5 -41.9 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.31 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.403 ' N ' HD22 ' A' ' 276' ' ' ASN . 2.9 m120 -70.06 -137.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.773 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 45.4 t -171.03 48.92 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.945 0.402 . . . . 0.0 110.747 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.964 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.809 0.337 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.681 ' NE2' ' H ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -76.44 139.26 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.592 179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD11 ' B' ' 67' ' ' LEU . 36.6 pt -143.72 149.07 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -105.38 131.77 52.4 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.756 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -102.08 117.36 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.357 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -94.09 122.85 37.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.524 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.5 p -78.98 144.25 34.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.024 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.894 ' HG ' HD21 ' A' ' 262' ' ' LEU . 2.6 tm? -48.6 -37.34 17.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.201 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.7 p -61.68 -47.66 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.94 63.16 0.06 OUTLIER Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.869 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -155.82 117.71 4.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.888 0.375 . . . . 0.0 111.605 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' ILE . 57.1 p -93.24 138.62 31.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.647 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.435 HD13 ' O ' ' B' ' 12' ' ' THR . 50.2 mm -132.43 140.03 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.067 0.461 . . . . 0.0 111.857 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.8 m -69.56 139.54 53.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.073 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.5 HD12 HG13 ' B' ' 17' ' ' VAL . 0.3 OUTLIER -158.72 110.09 2.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 179.194 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 88.9 tt0 -85.99 132.47 34.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.315 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.593 HG11 HG13 ' B' ' 26' ' ' VAL . 16.1 m -153.05 132.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.84 145.32 56.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.664 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 80.2 p -55.45 -43.38 75.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.683 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -82.39 41.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' B' ' 25' ' ' ASN . 64.4 t0 -110.1 131.4 55.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.925 0.393 . . . . 0.0 111.06 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.496 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.5 p -66.72 144.06 56.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 54' ' ' ARG . 41.6 mm -54.15 -41.72 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.481 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.99 -50.43 72.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.014 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.607 HD21 ' HE2' ' B' ' 29' ' ' LYS . 49.2 t30 -59.04 -43.22 91.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.414 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.593 HG13 HG11 ' B' ' 17' ' ' VAL . 58.0 t -58.67 -42.76 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.482 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.835 ' HE3' HD23 ' B' ' 43' ' ' LEU . 46.5 mmtm -60.21 -41.36 92.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.417 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.7 m -59.09 -48.0 83.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.244 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.607 ' HE2' HD21 ' B' ' 25' ' ' ASN . 67.6 mttm -60.51 -43.01 97.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.589 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.6 mt -62.83 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.571 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.7 tt0 -62.44 -48.52 79.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.629 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.74 -41.06 92.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.389 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -70.56 -67.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 89.87 50.92 2.96 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.985 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -138.33 137.38 20.53 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.465 0.174 . . . . 0.0 110.859 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.552 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 42.6 Cg_exo -53.88 134.16 57.94 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.407 2.071 . . . . 0.0 112.37 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.571 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 33.0 Cg_exo -58.93 -43.3 44.38 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.535 2.157 . . . . 0.0 112.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -68.86 -44.91 72.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.425 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 3.4 mm100 -58.96 -57.17 14.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.56 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.966 ' HB2' HD11 ' B' ' 69' ' ' LEU . 26.3 pt20 -75.67 137.26 40.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -120.55 120.94 37.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.212 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.835 HD23 ' HE3' ' B' ' 27' ' ' LYS . 4.1 mm? -87.01 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 267' ' ' ILE . 70.9 mt -138.22 138.84 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.306 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' HE2' ' HA ' ' B' ' 61' ' ' ILE . 28.0 t80 -153.5 142.04 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.57 37.42 19.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.82 39.88 95.98 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.42 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -146.79 129.28 15.93 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.87 0.367 . . . . 0.0 111.195 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -73.56 128.74 36.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.32 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.559 HD23 HD12 ' B' ' 23' ' ' ILE . 8.2 mp -66.68 118.56 10.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.941 0.4 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' B' ' 54' ' ' ARG . 88.2 mt-10 -87.27 134.69 33.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.84 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -61.46 133.61 55.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.655 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.49 42.45 17.98 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.966 -0.635 . . . . 0.0 113.123 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' B' ' 51' ' ' GLU . 38.0 mmt180 -132.06 134.39 45.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.897 0.379 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.7 p -67.36 139.16 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.465 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' B' ' 19' ' ' SER . 68.3 mt -63.99 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -52.41 -42.62 64.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.55 -41.86 73.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.94 0.4 . . . . 0.0 110.481 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -75.12 -25.54 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.612 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.23 43.69 2.73 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.543 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.489 ' HA ' ' HE2' ' B' ' 45' ' ' PHE . 64.1 mt -66.55 127.78 28.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.214 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -77.39 145.97 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -65.88 139.24 58.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 66.41 39.56 3.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.963 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 m -98.97 151.48 20.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.514 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.8 m -91.98 129.79 37.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.74 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 3' ' ' ILE . 72.5 mt -107.75 129.14 55.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HD2' ' OG ' ' A' ' 270' ' ' SER . 89.9 m-70 -80.52 127.62 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.386 . . . . 0.0 111.225 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.966 HD11 ' HB2' ' B' ' 41' ' ' GLN . 21.2 tp -101.63 149.83 23.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.834 HG11 HG13 ' A' ' 263' ' ' ILE . 27.3 t -140.13 118.87 11.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.0 mm? -79.19 129.9 34.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.983 0.421 . . . . 0.0 111.471 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.613 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 58.2 ttp180 -71.49 106.22 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.657 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.558 HD13 ' HG2' ' B' ' 72' ' ' ARG . 7.9 mp 60.39 128.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.127 0.489 . . . . 0.0 111.323 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' B' ' 75' ' ' GLY . 0.0 OUTLIER -173.76 131.17 0.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.602 ' N ' ' HD3' ' B' ' 74' ' ' ARG . . . 59.43 -135.09 51.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.648 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.439 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.02 139.98 87.49 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -166.49 134.67 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.04 -34.33 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -57.32 -42.16 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.38 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.07 -35.34 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.559 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 38.5 tt0 -59.76 -51.51 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.223 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.636 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.7 mm? -65.49 -43.43 90.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.954 ' HA ' HG21 ' B' ' 70' ' ' VAL . 46.7 mt -57.25 -49.71 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.371 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.672 ' HD3' ' N ' ' A' ' 265' ' ' LYS . 0.0 OUTLIER -63.83 -37.02 85.83 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.731 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.672 ' N ' ' HD3' ' A' ' 264' ' ' ARG . 97.7 mttt -55.38 -43.63 75.31 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.12 -34.49 78.52 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.517 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.5 mm -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.822 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.58 -46.93 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.236 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 94.2 mt -59.42 -46.31 89.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.1 t -61.08 -46.6 89.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.281 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.481 HD21 ' HA3' ' B' ' 47' ' ' GLY . 92.9 mt -61.98 -41.79 98.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.954 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -56.26 -42.84 78.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -61.05 -38.64 86.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.646 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 46.8 t -77.31 54.65 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.6 -48.71 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.012 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -156.56 39.3 0.33 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 79.6 p -70.58 -45.15 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.167 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 143.86 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.614 HD12 ' CD1' ' B' ' 67' ' ' LEU . 15.0 pt -130.98 144.56 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.24 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 33.0 m-85 -91.96 130.01 37.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.68 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -93.02 128.66 44.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.899 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' CG2' ' B' ' 66' ' ' THR . 59.0 tptt -104.26 135.25 46.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.402 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.1 p -112.75 141.16 46.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.737 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.638 HD21 HG22 ' B' ' 70' ' ' VAL . 4.2 mm? -51.77 -31.42 26.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.3 p -61.51 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.88 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.1 53.55 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.671 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -142.24 134.67 27.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.244 0.545 . . . . 0.0 112.093 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.9 p -121.07 125.94 48.58 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.205 178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.479 HD13 ' O ' ' B' ' 12' ' ' THR . 48.3 mm -132.17 139.65 49.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.7 m -69.19 139.65 54.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.759 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.499 ' HG ' HG12 ' B' ' 30' ' ' ILE . 1.8 tm? -148.42 113.51 5.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.989 0.423 . . . . 0.0 109.919 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -69.18 134.96 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.205 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 25.6 m -147.48 132.94 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.353 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.723 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 94.9 mt-10 -68.15 149.0 50.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.369 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 81.9 p -52.64 -49.79 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.47 ' HA ' ' HB ' ' B' ' 55' ' ' THR . 80.0 p -99.57 34.41 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 9.8 t70 -80.25 131.42 35.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.402 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.0 p -68.34 142.13 55.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.559 HG21 ' O ' ' B' ' 51' ' ' GLU . 49.6 mm -51.76 -41.22 28.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.186 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.21 -48.08 81.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.466 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' OD1' ' B' ' 21' ' ' ASP . 24.6 t-20 -59.07 -41.4 87.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.072 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.471 ' O ' HG13 ' B' ' 30' ' ' ILE . 62.0 t -58.38 -44.19 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.38 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 34.7 mmtp -59.5 -41.85 90.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.42 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -58.48 -47.67 83.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.517 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.616 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.5 mtpm? -61.46 -44.68 96.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.462 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.499 HG12 ' HG ' ' B' ' 15' ' ' LEU . 76.3 mt -62.28 -35.38 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.372 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.489 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 61.4 tp60 -61.54 -53.28 58.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.746 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -61.23 -40.59 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -72.79 -71.71 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.478 ' OE2' HG21 ' B' ' 13' ' ' ILE . 66.3 mm-40 -74.78 -38.72 62.08 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.489 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 87.48 40.46 6.84 Favored Glycine 0 N--CA 1.454 -0.146 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.341 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -117.73 135.24 23.25 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.44 0.162 . . . . 0.0 110.651 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 34.8 Cg_exo -54.15 133.28 54.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.21 1.94 . . . . 0.0 112.157 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.596 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.7 Cg_exo -59.42 -45.95 23.76 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.51 2.14 . . . . 0.0 112.252 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -67.01 -44.44 80.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.725 HE21 ' HB2' ' B' ' 71' ' ' LEU . 41.8 tt0 -58.96 -50.77 72.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.462 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.3 pt20 -71.98 135.48 46.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -117.65 126.47 52.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 50' ' ' LEU . 92.3 mt -80.51 138.78 36.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.489 HD11 HG23 ' A' ' 263' ' ' ILE . 72.5 mt -145.28 138.71 21.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.793 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -167.37 140.12 3.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.13 40.69 31.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.004 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.481 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 58.7 33.12 71.24 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.651 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -150.53 125.7 9.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.64 138.97 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.623 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 7.1 mp -79.84 142.26 35.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.559 ' O ' HG21 ' B' ' 23' ' ' ILE . 43.1 mt-10 -65.27 -149.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -150.99 40.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.54 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.47 45.55 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.066 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -143.51 137.61 28.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.47 ' HB ' ' HA ' ' B' ' 20' ' ' SER . 68.8 p -63.18 137.33 58.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.532 HD22 HD12 ' B' ' 61' ' ' ILE . 92.0 mt -58.75 -28.28 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -51.83 -40.88 61.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.195 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -58.6 -43.33 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.39 -29.3 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.92 44.64 3.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.532 HD12 HD22 ' B' ' 56' ' ' LEU . 62.8 mt -64.08 128.55 26.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' B' ' 65' ' ' SER . 74.5 mt-30 -73.08 144.36 47.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' B' ' 63' ' ' LYS . 0.3 OUTLIER -57.99 148.2 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.978 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 62.62 34.47 14.96 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.988 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' B' ' 62' ' ' GLN . 46.2 t -89.49 134.44 34.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 61.9 m -90.62 99.11 12.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.363 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.614 ' CD1' HD12 ' B' ' 3' ' ' ILE . 28.0 mt -82.17 130.9 35.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.972 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.526 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.7 m80 -75.41 126.99 32.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.536 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.9 tt -119.26 136.55 54.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.954 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.6 t -126.14 105.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.244 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.901 ' H ' HD23 ' B' ' 71' ' ' LEU . 1.0 OUTLIER -82.71 121.62 27.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.942 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.417 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 57.7 ttp180 -63.6 140.15 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.055 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.503 HD22 ' O ' ' B' ' 71' ' ' LEU . 2.0 pt? -167.75 133.66 2.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.748 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 74' ' ' ARG . 40.7 mmt-85 -68.95 -44.12 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.76 -41.28 2.13 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.619 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.577 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' A' ' 257' ' ' GLU . 57.8 Cg_endo -69.47 -141.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.341 2.028 . . . . 0.0 112.465 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.437 ' H ' ' HB2' ' A' ' 256' ' ' PRO . 93.6 mt-10 55.54 41.0 31.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.417 ' O ' HD23 ' A' ' 262' ' ' LEU . 52.3 p-10 -78.59 13.26 1.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.237 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.42 -44.36 92.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 62.9 mm-40 -62.02 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.47 -49.72 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 258' ' ' ASP . 4.2 mm? -65.3 -43.57 90.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.348 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.847 ' HA ' HG21 ' B' ' 70' ' ' VAL . 27.5 mt -57.65 -55.45 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.551 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 267' ' ' ILE . 3.7 ptp180 -62.6 -36.04 81.46 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.723 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' A' ' 265' ' ' LYS . 4.9 ttmp? -54.61 -46.92 73.93 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -63.83 -34.65 78.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.203 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 263' ' ' ILE . 57.5 mt -63.4 -39.89 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.746 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 88.9 tt0 -65.1 -51.42 61.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.663 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.409 ' HB2' ' NE2' ' B' ' 68' ' ' HIS . 95.9 mt -59.62 -43.58 93.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.727 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 38.3 t -58.24 -45.19 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.954 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.542 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.3 mt -61.01 -43.1 99.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.926 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 34.4 mmtp -58.69 -44.73 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.8 98.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 277' ' ' SER . 68.3 m -78.55 51.23 1.04 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.304 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.52 ' HD3' ' C ' ' A' ' 275' ' ' ARG . 0.0 OUTLIER -59.57 -48.79 80.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.467 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.1 -45.69 87.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.718 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . 0.418 ' HB2' ' HB3' ' A' ' 274' ' ' SER . 48.7 m -79.97 42.56 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.141 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.634 ' O ' ' HA ' ' B' ' 16' ' ' GLU . 45.7 ttm . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.701 0.286 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -119.36 76.4 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.703 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.546 HG23 ' HG2' ' B' ' 1' ' ' MET . 32.6 pt -88.6 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.28 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 34.9 m-85 -102.14 128.32 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.876 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 12' ' ' THR . 58.4 t -85.75 132.05 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.014 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.07 125.64 54.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.018 0.437 . . . . 0.0 111.444 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.4 p -88.93 152.75 21.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.381 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.523 HD11 HG13 ' B' ' 70' ' ' VAL . 97.1 mt -49.93 -41.13 45.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 p -61.5 -49.83 75.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.23 67.89 0.07 OUTLIER Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.731 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -149.99 127.86 11.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.3 p -103.9 139.55 38.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 49.8 mm -133.45 136.25 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.8 0.333 . . . . 0.0 111.799 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 48.0 m -62.02 134.24 56.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.889 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.524 HD21 HG13 ' B' ' 26' ' ' VAL . 63.5 tp -144.63 113.09 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.0 111.209 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -91.24 128.77 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.212 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' B' ' 1' ' ' MET . 17.7 m -150.68 130.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.045 0.45 . . . . 0.0 111.768 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 60.5 mm-40 -77.26 142.29 39.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.649 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m -53.74 -37.78 63.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.1 p -57.7 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 57.2 m-20 -63.24 130.2 43.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.974 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -71.92 -155.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.284 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.428 HD11 HD12 ' B' ' 50' ' ' LEU . 40.2 mm -78.61 -45.31 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' ASP . 56.1 m-20 -46.75 -44.97 19.41 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.15 -47.94 81.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.555 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.0 t -56.66 -41.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.952 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.83 ' HE2' HD23 ' B' ' 43' ' ' LEU . 35.1 mmtp -59.29 -40.7 87.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.459 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -60.14 -48.15 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.516 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -64.07 -44.91 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.913 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 26' ' ' VAL . 72.8 mt -58.14 -42.44 83.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.375 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -66.33 -34.64 78.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -60.55 -50.39 73.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.205 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' B' ' 33' ' ' LYS . 3.6 mptp? -83.32 -59.14 2.55 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.57 -38.21 86.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.971 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.61 48.2 9.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.913 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 72.4 mt -134.63 133.67 21.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.123 . . . . 0.0 110.71 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.2 Cg_exo -53.35 138.04 64.73 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.434 2.089 . . . . 0.0 112.394 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.8 Cg_exo -55.3 -45.05 43.08 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.629 2.219 . . . . 0.0 112.44 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.27 -39.44 92.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' B' ' 72' ' ' ARG . 4.7 tp60 -59.0 -52.18 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.172 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.475 ' HB2' HD21 ' B' ' 69' ' ' LEU . 24.4 pt20 -83.39 147.16 28.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.628 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' B' ' 72' ' ' ARG . 59.9 mtt85 -133.3 113.09 12.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.604 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.83 HD23 ' HE2' ' B' ' 27' ' ' LYS . 4.3 mm? -80.21 141.35 35.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.737 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HG23 ' A' ' 263' ' ' ILE . 70.8 mt -131.78 138.42 52.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.58 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -152.6 140.5 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.52 35.74 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.093 0.473 . . . . 0.0 110.378 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.542 ' HA3' HD21 ' A' ' 271' ' ' LEU . . . 60.11 38.39 94.29 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.618 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -151.53 134.22 15.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -66.34 131.92 47.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.47 HD23 ' C ' ' B' ' 43' ' ' LEU . 3.8 mm? -70.17 123.32 21.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.867 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.65 133.29 42.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.588 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.52 ' HB3' ' OD1' ' B' ' 24' ' ' ASP . 28.9 m-20 -75.89 51.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.41 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.32 44.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.298 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -144.01 132.54 22.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.5 p -71.26 136.95 48.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.268 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.401 HD21 HD13 ' B' ' 23' ' ' ILE . 80.8 mt -62.56 -27.17 68.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -51.4 -45.2 62.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.329 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.84 -38.08 81.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.65 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -67.89 -30.31 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.897 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 5.5 m120 63.81 40.41 7.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.452 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.42 ' HB ' ' HE1' ' B' ' 1' ' ' MET . 72.7 mt -63.68 130.56 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -71.37 -144.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.019 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -121.23 146.43 46.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.734 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 62.82 33.8 14.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -76.23 135.01 39.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.8 m -86.97 93.24 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.109 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.3 mp -83.91 133.71 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.574 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.614 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 8.6 m80 -82.67 144.05 30.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.907 0.384 . . . . 0.0 111.798 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.62 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.1 tt -130.7 131.95 45.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.104 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.847 HG21 ' HA ' ' A' ' 263' ' ' ILE . 10.6 t -117.72 123.62 71.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 71' ' ' LEU . 6.3 mp -85.6 118.76 25.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.944 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.536 ' HB2' ' NH1' ' B' ' 42' ' ' ARG . 78.6 ttt180 -72.11 138.92 48.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.662 ' O ' HD12 ' B' ' 73' ' ' LEU . 4.1 pp -167.28 137.06 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 111.154 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -75.58 -142.49 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.656 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.07 42.31 0.07 OUTLIER Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.378 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.45 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.779 0.323 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.68 134.63 54.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.512 2.141 . . . . 0.0 112.245 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.571 ' HB2' ' OE1' ' A' ' 259' ' ' GLU . 0.9 OUTLIER -61.31 135.94 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.423 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -92.56 13.59 19.38 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.647 ' HG2' HD12 ' B' ' 73' ' ' LEU . 6.3 mp0 -71.44 -46.18 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.455 ' HG2' ' OE1' ' A' ' 257' ' ' GLU . 57.9 mm-40 -62.28 -47.08 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.05 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.669 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 12.2 pt-20 -61.67 -43.95 97.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.614 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.791 HD23 HG13 ' B' ' 70' ' ' VAL . 42.9 tp -60.4 -46.26 90.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.165 0.507 . . . . 0.0 110.346 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.964 HG13 HG11 ' B' ' 70' ' ' VAL . 13.3 mt -56.0 -50.4 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.333 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.677 ' HD2' ' N ' ' A' ' 265' ' ' LYS . 7.6 ppt_? -64.31 -32.14 73.62 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.578 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.677 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 98.2 mttt -55.92 -44.52 78.4 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' B' ' 8' ' ' LEU . . . -63.75 -38.34 90.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.723 178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.621 ' O ' ' HG ' ' A' ' 271' ' ' LEU . 64.8 mt -60.29 -52.57 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.729 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -62.49 -46.76 86.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.393 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 273' ' ' GLU . 95.5 mt -56.21 -43.92 79.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.501 ' HB2' ' H ' ' B' ' 47' ' ' GLY . 58.3 m -62.38 -43.09 99.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 91.8 mt -57.27 -43.8 83.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -62.02 -35.68 79.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 269' ' ' LEU . 4.9 mm-40 -54.43 -52.37 62.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.963 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 47.2 t -68.68 127.51 33.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.528 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -76.64 -55.3 5.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.445 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -70.32 -59.5 2.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 46.4 t -179.39 136.94 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 46' ' ' ALA . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.213 -0.898 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -80.1 143.71 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.357 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -148.96 138.65 16.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.37 118.59 34.19 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.1 t -81.67 136.95 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.538 ' HB2' HG22 ' B' ' 12' ' ' THR . 62.2 tttp -142.99 131.67 22.57 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.453 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 82.8 p -91.08 148.26 22.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.89 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 266' ' ' ALA . 91.4 mt -75.54 50.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 111.284 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.2 p -147.6 -48.99 0.17 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.792 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.25 61.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.3 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 23.4 tptm -158.14 133.56 8.84 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.087 0.444 . . . . 0.0 111.729 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 26.9 p -138.78 140.18 38.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' B' ' 34' ' ' GLU . 75.0 mt -148.1 138.65 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 111.937 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.6 m -70.68 144.03 51.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.788 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.54 HD13 ' N ' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -150.1 122.86 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.089 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.54 ' N ' HD13 ' B' ' 15' ' ' LEU . 10.1 tm-20 -93.63 132.15 38.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.605 HG11 HG22 ' B' ' 26' ' ' VAL . 1.9 m -159.3 127.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.031 179.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.561 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 94.7 mt-10 -69.47 142.05 53.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.478 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 43.0 t -49.95 -35.07 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.6 m -62.95 -37.19 86.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.592 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.561 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.3 m-20 -62.21 130.96 47.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 111.468 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.8 p -69.48 156.19 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.976 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.623 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.1 mm -49.93 -38.2 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -54.86 -48.89 72.34 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.243 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.72 -45.1 86.23 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.182 0.515 . . . . 0.0 110.12 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.605 HG22 HG11 ' B' ' 17' ' ' VAL . 41.1 t -55.8 -41.45 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.768 179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.641 ' HE2' HD23 ' B' ' 43' ' ' LEU . 34.4 mmtp -60.47 -40.97 93.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.253 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.2 m -56.66 -50.77 71.1 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.094 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -59.36 -40.0 85.06 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 26' ' ' VAL . 88.2 mt -62.36 -37.99 80.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.405 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 39.1 tt0 -61.88 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.641 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -63.92 -42.03 97.49 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.706 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -69.67 -69.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.44 ' HG2' HD12 ' B' ' 13' ' ' ILE . 55.3 mt-10 -72.25 -39.8 68.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 91.24 49.12 3.12 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.035 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -140.0 134.31 15.73 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.407 0.146 . . . . 0.0 110.942 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.5 Cg_exo -54.76 138.26 76.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.418 2.079 . . . . 0.0 112.039 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.625 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 51.4 Cg_exo -55.62 -46.94 28.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.549 2.166 . . . . 0.0 112.773 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.34 -46.11 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' B' ' 72' ' ' ARG . 4.5 tp-100 -53.03 -47.66 68.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.548 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 23.0 pt20 -85.38 135.16 34.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.945 0.403 . . . . 0.0 111.976 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' B' ' 69' ' ' LEU . 73.7 mtt-85 -113.33 129.85 56.42 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.379 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.641 HD23 ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -101.04 136.24 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.093 0.473 . . . . 0.0 111.919 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 25.4 mm -119.2 139.68 45.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.59 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.47 ' CE2' HG12 ' B' ' 61' ' ' ILE . 24.8 t80 -160.87 134.5 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.384 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 278' ' ' ALA . . . 52.67 35.8 19.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' A' ' 270' ' ' SER . . . 62.02 37.73 94.91 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.629 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -153.86 136.67 15.31 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.776 0.322 . . . . 0.0 110.994 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.8 OUTLIER -72.41 131.89 43.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.661 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.4 mp -70.18 125.16 25.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 111.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -89.43 132.49 34.98 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 32.1 m-20 -57.92 -46.54 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.675 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.48 46.03 2.73 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.476 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 23' ' ' ILE . 43.6 mmt-85 -144.93 136.57 25.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.052 0.453 . . . . 0.0 111.394 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -76.98 147.1 37.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.407 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' B' ' 19' ' ' SER . 73.5 mt -55.96 -39.82 72.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 89.0 p -53.18 -38.35 62.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.631 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -54.54 -49.56 69.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.433 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 6.8 m-85 -74.22 -22.99 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.333 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.1 m120 63.57 40.55 7.98 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.091 0.472 . . . . 0.0 110.17 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.47 HG12 ' CE2' ' B' ' 45' ' ' PHE . 63.1 mt -63.04 126.18 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.12 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' B' ' 62' ' ' GLN . 3.4 pm0 -78.24 145.98 35.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -51.83 145.82 9.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 63.36 41.12 7.93 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.001 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.527 ' HB2' HE21 ' B' ' 62' ' ' GLN . 48.0 t -88.87 140.03 29.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.2 m -92.02 123.24 35.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.547 ' HB3' HD12 ' B' ' 43' ' ' LEU . 3.8 mm? -106.96 130.47 54.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.849 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.73 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 94.1 m-70 -82.61 140.99 32.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.64 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.4 tt -120.9 139.54 53.06 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 263' ' ' ILE . 24.4 t -137.54 123.19 25.87 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.881 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.533 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.7 mm? -76.35 130.31 37.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.545 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' OE1' ' B' ' 40' ' ' GLN . 99.5 mtt180 -72.92 73.02 1.13 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.689 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.647 HD12 ' HG2' ' A' ' 259' ' ' GLU . 6.5 mp 66.82 132.47 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.999 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -61.71 133.91 56.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.2 133.64 42.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.411 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.452 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.576 0.227 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.7 134.48 35.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.448 2.099 . . . . 0.0 112.131 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . 0.494 ' HB3' ' HG2' ' A' ' 260' ' ' GLU . 5.4 tp10 -63.27 136.25 57.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.98 -40.87 95.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' B' ' 73' ' ' LEU . 3.9 tm-20 -57.68 -45.67 85.33 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.548 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.494 ' HG2' ' HB3' ' A' ' 257' ' ' GLU . 56.7 mm-40 -58.19 -39.54 79.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.713 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 264' ' ' ARG . 43.5 tt0 -56.84 -45.87 82.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.937 HD13 HD13 ' B' ' 8' ' ' LEU . 82.0 mt -63.88 -46.77 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.083 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 1.025 ' HA ' HG21 ' B' ' 70' ' ' VAL . 9.5 mt -57.73 -54.52 30.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.462 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 261' ' ' GLU . 0.0 OUTLIER -63.64 -32.42 73.89 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.841 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.634 ' N ' ' HD2' ' A' ' 264' ' ' ARG . 24.7 ttmm -54.85 -49.74 70.36 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -64.09 -36.22 83.31 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.8 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 264' ' ' ARG . 69.1 mt -57.81 -46.85 87.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 272' ' ' LYS . 50.4 mt-10 -66.13 -44.47 84.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.838 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 93.8 mt -57.42 -43.21 83.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 42.6 t -67.76 -42.6 81.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 83.6 mt -58.58 -40.21 82.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 268' ' ' GLU . 75.7 mmtt -56.28 -45.95 79.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -68.51 -44.06 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 52.9 m -78.49 58.67 2.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 275' ' ' ARG . 5.5 tmm_? -54.05 -39.44 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.75 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.782 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 50.6 m -160.23 49.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.987 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -92.2 148.18 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 HD22 ' B' ' 67' ' ' LEU . 37.3 pt -146.16 138.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.617 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.511 ' HD2' HG22 ' B' ' 12' ' ' THR . 28.6 m-85 -91.07 126.9 36.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.974 0.416 . . . . 0.0 111.989 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' B' ' 12' ' ' THR . 65.6 t -86.84 130.99 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.102 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.536 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 24.3 tptm -122.67 117.69 26.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.46 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.95 HG22 HD23 ' B' ' 69' ' ' LEU . 77.1 p -92.96 -158.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.383 . . . . 0.0 111.502 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 262' ' ' LEU . 84.6 mt -86.18 -38.53 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.185 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -76.38 34.91 0.14 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.834 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.429 ' HA2' ' CE ' ' B' ' 6' ' ' LYS . . . 51.36 36.17 36.95 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.975 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt -97.65 138.14 35.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.663 0.268 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 57.2 m -138.03 131.31 30.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.7 mt -148.41 139.63 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.2 m -60.76 143.14 55.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.065 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.3 tp -149.53 108.46 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.583 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' B' ' 29' ' ' LYS . 17.4 tp10 -79.03 132.21 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.991 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.641 HG11 HG22 ' B' ' 26' ' ' VAL . 22.3 m -152.18 130.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.032 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' HB2' ' OD2' ' B' ' 21' ' ' ASP . 54.0 mt-10 -73.81 139.85 45.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.477 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' B' ' 57' ' ' SER . 49.3 m -52.82 -36.95 59.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -60.82 -44.82 96.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.374 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' OD2' ' HB2' ' B' ' 18' ' ' GLU . 60.4 m-20 -57.89 133.48 55.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 80.4 p -72.4 -153.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.43 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.516 HG21 ' O ' ' B' ' 51' ' ' GLU . 50.6 mm -82.64 -42.47 18.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.252 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.53 -40.65 62.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.431 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.15 -46.24 86.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.232 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.641 HG22 HG11 ' B' ' 17' ' ' VAL . 66.5 t -59.03 -43.8 89.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.523 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.611 ' HE3' HD22 ' B' ' 43' ' ' LEU . 34.9 mmtp -62.23 -40.12 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.5 t -58.79 -47.44 84.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' B' ' 16' ' ' GLU . 27.5 mtpp -63.11 -42.73 99.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.644 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 26' ' ' VAL . 75.5 mt -60.92 -43.41 95.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 8.0 tt0 -62.32 -42.61 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.32 -43.7 93.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.633 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -76.63 -65.63 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' OE2' HG23 ' B' ' 30' ' ' ILE . 51.2 mt-10 -68.57 -37.9 80.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 84.5 53.15 3.32 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.326 -0.94 . . . . 0.0 112.25 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.4 mt -142.57 136.23 14.41 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 120.517 0.199 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.87 137.16 43.51 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.546 2.164 . . . . 0.0 112.46 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.524 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 29.3 Cg_endo -63.13 -45.92 11.37 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.761 2.307 . . . . 0.0 112.689 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -59.99 -42.22 93.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.01 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.562 ' HG3' ' HB3' ' B' ' 72' ' ' ARG . 53.7 tt0 -59.2 -39.03 81.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.139 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.924 ' HB3' HD11 ' B' ' 69' ' ' LEU . 64.9 mt-30 -82.19 123.57 29.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.453 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.599 ' O ' HD12 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -94.07 116.63 29.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.111 178.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.899 ' HG ' HD12 ' B' ' 50' ' ' LEU . 16.0 tp -86.08 132.09 34.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.932 0.396 . . . . 0.0 111.017 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.547 HG12 ' OE1' ' B' ' 49' ' ' GLN . 56.3 mt -135.47 141.21 43.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.281 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB3' HD21 ' B' ' 50' ' ' LEU . 25.2 t80 -157.74 140.54 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.01 37.36 26.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.425 ' HA3' ' CD2' ' A' ' 271' ' ' LEU . . . 57.72 37.07 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.509 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -148.01 137.22 22.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' OE1' HG12 ' B' ' 44' ' ' ILE . 10.4 mm100 -65.4 124.91 23.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.625 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.899 HD12 ' HG ' ' B' ' 43' ' ' LEU . 76.8 mt -84.68 133.4 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.618 179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.516 ' O ' HG21 ' B' ' 23' ' ' ILE . 64.6 mm-40 -67.12 -160.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.49 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -133.8 45.8 2.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.766 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' B' ' 54' ' ' ARG . . . 171.27 47.56 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.741 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' B' ' 54' ' ' ARG . 37.3 mmt-85 -135.56 133.07 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.382 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.0 p -65.86 131.04 45.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.48 -30.44 71.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' B' ' 19' ' ' SER . 46.7 t -51.88 -41.31 61.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.226 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.34 -41.99 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.45 -25.33 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.416 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.8 m120 65.87 41.6 3.74 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.989 0.423 . . . . 0.0 110.508 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.93 133.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.398 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -71.88 153.22 42.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.798 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -68.12 144.18 55.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 61.52 37.37 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.549 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.0 m -87.91 142.27 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.979 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 87.9 m -93.14 111.24 22.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.491 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -89.59 137.33 32.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.547 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 21.7 m170 -81.8 151.08 27.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.066 0.46 . . . . 0.0 111.359 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.95 HD23 HG22 ' B' ' 7' ' ' THR . 55.0 tp -142.81 142.5 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.553 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 1.025 HG21 ' HA ' ' A' ' 263' ' ' ILE . 24.8 t -133.9 118.32 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.694 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.523 HD22 ' N ' ' B' ' 71' ' ' LEU . 2.8 mm? -71.77 129.05 37.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.076 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.562 ' HB3' ' HG3' ' B' ' 40' ' ' GLN . 40.6 ttt85 -59.32 107.23 0.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.631 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.599 HD12 ' HG3' ' A' ' 259' ' ' GLU . 4.9 mp 47.44 -135.0 1.02 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.248 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -175.41 -42.57 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.856 0.36 . . . . 0.0 110.493 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.82 43.51 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.453 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.323 -1.265 . . . . 0.0 112.473 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.701 0.286 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.7 132.44 21.82 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.581 2.188 . . . . 0.0 112.26 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.53 132.86 49.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.814 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.645 ' HB3' HD11 ' B' ' 73' ' ' LEU . 33.9 t70 -66.77 -44.05 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.305 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.593 ' OE1' ' HG3' ' B' ' 72' ' ' ARG . 15.7 pt-20 -59.52 -42.42 92.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.179 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.28 -42.29 84.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.838 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 17.6 tp10 -58.22 -46.67 85.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.562 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.59 ' HB3' ' HG ' ' B' ' 8' ' ' LEU . 91.4 mt -63.76 -41.68 97.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.875 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.914 HG13 HG11 ' B' ' 70' ' ' VAL . 14.8 mt -55.58 -55.41 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.506 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.4 ptm180 -62.02 -40.24 95.02 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.462 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 96.6 mttt -54.49 -45.27 73.22 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' B' ' 68' ' ' HIS . . . -64.62 -35.41 80.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.628 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 263' ' ' ILE . 76.6 mt -62.6 -44.49 99.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.949 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.15 -42.76 96.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.433 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 84.8 mt -59.73 -45.07 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . 64.1 m -60.01 -48.15 82.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.72 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.451 HD21 ' HA3' ' B' ' 47' ' ' GLY . 96.7 mt -59.44 -37.84 79.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 272' ' ' LYS . 1.3 tmtp? -58.7 -45.92 88.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.377 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -63.57 -46.74 84.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.692 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 81.0 p -78.73 57.77 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.355 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.48 -42.7 67.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.838 0.351 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -172.92 135.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 59.3 m -161.29 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.019 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.911 0.386 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.509 ' HG3' ' OE1' ' B' ' 64' ' ' GLU . 17.6 pt20 -85.02 144.32 28.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.506 HD12 HD13 ' B' ' 67' ' ' LEU . 41.5 pt -141.05 141.33 31.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.687 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.553 ' HD2' HG22 ' B' ' 12' ' ' THR . 37.5 m-85 -84.62 137.19 33.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.114 0.483 . . . . 0.0 112.221 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' B' ' 12' ' ' THR . 60.7 t -104.34 119.16 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.353 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.447 ' NZ ' ' HA2' ' B' ' 10' ' ' GLY . 61.8 tttp -118.48 134.71 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.011 0.434 . . . . 0.0 111.807 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.542 HG22 HD22 ' B' ' 69' ' ' LEU . 81.3 p -89.33 -152.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.59 ' HG ' ' HB3' ' A' ' 262' ' ' LEU . 3.5 mm? -92.37 -41.08 10.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.5 m -61.59 -50.31 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.54 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.447 ' HA2' ' NZ ' ' B' ' 6' ' ' LYS . . . 157.46 -27.17 0.48 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.773 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -47.9 138.11 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.955 0.407 . . . . 0.0 111.43 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 45.3 m -149.47 138.5 21.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 63.2 mt -147.35 141.09 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 41.1 m -62.9 147.34 50.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.062 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.458 HD12 HG13 ' B' ' 17' ' ' VAL . 1.7 tm? -152.39 114.65 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.845 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -69.89 132.79 46.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.674 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.54 HG11 HG13 ' B' ' 26' ' ' VAL . 18.0 m -150.4 124.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.361 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.588 ' O ' HD12 ' B' ' 56' ' ' LEU . 66.0 mm-40 -82.2 147.4 29.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -52.17 -43.85 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.774 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -68.38 -33.35 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' B' ' 25' ' ' ASN . 8.5 t70 -50.96 129.6 23.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.113 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.3 p -77.37 151.23 34.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.586 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.637 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.5 mm -49.48 -42.78 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.734 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.681 ' H ' ' H ' ' B' ' 53' ' ' GLY . 64.7 t0 -55.89 -46.83 78.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.544 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 3.1 m120 -59.13 -42.69 91.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.232 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.54 HG13 HG11 ' B' ' 17' ' ' VAL . 65.2 t -55.68 -44.15 75.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.261 179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.69 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 34.0 mmtp -62.85 -38.45 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.327 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -57.69 -45.97 84.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.031 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -61.72 -45.6 93.24 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.302 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -59.02 -39.2 77.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.567 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -62.5 -46.05 90.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.498 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.91 -39.36 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' B' ' 33' ' ' LYS . 9.0 mmpt? -72.74 -66.89 0.61 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -78.23 -43.66 27.76 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.0 44.66 3.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.915 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.555 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 45.0 mm -120.08 135.12 24.16 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.467 0.175 . . . . 0.0 110.952 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.1 Cg_exo -53.54 137.25 65.73 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.59 2.193 . . . . 0.0 112.378 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 35.3 Cg_exo -60.18 -44.19 30.55 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.74 2.293 . . . . 0.0 112.626 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.401 ' OD1' ' HG3' ' B' ' 40' ' ' GLN . 2.3 p30 -57.41 -39.75 76.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.155 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HG3' ' OD1' ' B' ' 39' ' ' ASP . 26.1 mt-30 -67.26 -45.42 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.982 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.637 ' HA ' HD23 ' B' ' 71' ' ' LEU . 26.3 mt-30 -65.28 130.26 42.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.702 ' HE ' ' HG2' ' B' ' 49' ' ' GLN . 29.5 tpt180 -119.75 110.3 16.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 14.9 tp -79.45 130.69 35.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.464 -178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.87 HG12 ' HG3' ' B' ' 49' ' ' GLN . 59.1 mt -137.04 140.3 42.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.557 ' HB3' HD11 ' B' ' 50' ' ' LEU . 31.5 t80 -169.45 149.12 3.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.02 38.48 20.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.353 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 62.19 37.72 94.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.121 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -164.82 133.56 3.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.97 0.414 . . . . 0.0 111.59 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.87 ' HG3' HG12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -73.08 128.4 35.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.268 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.8 mp -78.23 124.76 28.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.294 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' B' ' 54' ' ' ARG . 5.1 mm-40 -78.72 133.9 37.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.155 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.637 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 28.9 m-20 -61.81 145.16 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.352 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.681 ' H ' ' H ' ' B' ' 24' ' ' ASP . . . 94.3 -34.21 4.84 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.226 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.62 ' O ' HG12 ' B' ' 23' ' ' ILE . 78.0 mtt-85 -65.12 136.89 57.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.835 0.35 . . . . 0.0 111.252 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.1 p -70.23 138.67 51.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.346 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.732 HD22 HD12 ' B' ' 61' ' ' ILE . 95.3 mt -58.93 -33.82 71.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -51.67 -40.08 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.323 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -55.77 -49.38 73.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.422 ' CE2' ' HG ' ' B' ' 50' ' ' LEU . 6.2 m-85 -72.04 -30.07 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.239 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.34 53.88 1.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.255 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.732 HD12 HD22 ' B' ' 56' ' ' LEU . 60.7 mt -67.91 131.71 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.517 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' B' ' 65' ' ' SER . 98.9 mm-40 -76.14 145.97 39.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 6.1 ttpm? -55.73 144.93 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 5.1 mm-40 63.07 40.92 8.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.469 ' H ' HG22 ' B' ' 3' ' ' ILE . 47.3 t -86.6 144.47 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.201 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 86.8 m -105.89 104.08 13.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.506 HD13 HD12 ' B' ' 3' ' ' ILE . 9.2 mp -93.08 133.29 36.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.216 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 266' ' ' ALA . 91.5 m-70 -80.94 141.18 34.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.14 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 HG22 ' B' ' 7' ' ' THR . 4.6 tt -121.07 131.34 54.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.245 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.914 HG11 HG13 ' A' ' 263' ' ' ILE . 68.0 t -124.56 122.89 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' B' ' 41' ' ' GLN . 85.0 mt -95.89 119.36 34.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.036 0.446 . . . . 0.0 111.503 -179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.593 ' HG3' ' OE1' ' A' ' 259' ' ' GLU . 0.1 OUTLIER -60.0 135.45 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.996 179.638 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 258' ' ' ASP . 87.0 mt -61.36 134.63 57.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 74' ' ' ARG . 69.0 mtt-85 65.43 133.78 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -178.35 -42.7 0.07 OUTLIER Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.613 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.309 -1.273 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 39.0 t80 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.492 0.187 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 24.8 Cg_exo -63.26 135.69 51.71 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.578 2.185 . . . . 0.0 112.01 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.27 143.64 52.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . 0.432 ' HA ' ' OE1' ' A' ' 261' ' ' GLU . 58.7 t0 -52.56 -26.52 13.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.015 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.494 ' OE2' ' HA ' ' B' ' 72' ' ' ARG . 37.4 tt0 -57.43 -43.17 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.49 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -56.22 -41.02 74.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 265' ' ' LYS . 7.3 mp0 -58.68 -52.85 63.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.666 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' B' ' 8' ' ' LEU . 4.3 mm? -60.69 -49.11 78.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 111.435 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.955 HG13 HG11 ' B' ' 70' ' ' VAL . 26.7 mt -52.42 -54.22 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.651 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 267' ' ' ILE . 16.0 ptm180 -62.22 -35.9 80.3 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.306 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 261' ' ' GLU . 97.6 mttt -54.45 -46.67 73.33 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -65.5 -34.33 78.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.902 178.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 264' ' ' ARG . 72.3 mt -61.74 -49.38 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.684 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -66.18 -46.35 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.574 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 87.6 mt -58.53 -42.68 88.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.999 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.45 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 34.7 t -64.66 -45.7 85.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 267' ' ' ILE . 99.4 mt -59.65 -37.94 80.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -58.64 -43.35 89.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.82 -47.0 76.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.279 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 80.6 p -59.13 -39.24 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 275' ' ' ARG . 5.0 tpm_? 63.5 57.52 1.46 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 5.2 m120 66.04 135.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.573 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 52.2 m 63.85 129.62 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.334 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.982 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.001 0.429 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -77.82 143.94 37.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.264 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' B' ' 67' ' ' LEU . 50.9 pt -146.49 141.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.153 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.509 ' HD2' HG22 ' B' ' 12' ' ' THR . 35.8 m-85 -98.34 125.99 43.67 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 12' ' ' THR . 64.0 t -90.05 129.06 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.386 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 59.8 tttm -131.55 132.82 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.225 0.536 . . . . 0.0 111.731 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 78.1 p -79.9 -151.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.541 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 262' ' ' LEU . 87.2 mt -131.78 47.82 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.204 0.526 . . . . 0.0 110.525 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.9 t -152.71 -43.11 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.24 60.63 0.01 OUTLIER Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.127 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 38.8 ttpt -157.18 135.3 11.07 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.068 0.461 . . . . 0.0 111.797 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 60.1 m -149.47 138.41 21.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.139 179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.41 HD13 ' NZ ' ' B' ' 33' ' ' LYS . 31.1 mt -149.02 143.87 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.2 m -59.7 147.54 37.31 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.212 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.453 HD21 HG13 ' B' ' 26' ' ' VAL . 66.8 tp -155.68 112.83 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -79.94 130.34 35.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.654 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.428 HG11 HG22 ' B' ' 26' ' ' VAL . 27.3 m -148.92 130.15 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-O 121.03 0.443 . . . . 0.0 111.606 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.475 ' HB2' ' CG ' ' B' ' 21' ' ' ASP . 56.1 mt-10 -77.28 139.78 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.5 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 79.6 p -55.21 -41.59 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.1 m -63.95 -40.99 97.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.475 ' CG ' ' HB2' ' B' ' 18' ' ' GLU . 39.9 m-20 -56.56 132.93 52.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.297 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 73.0 p -75.22 163.44 27.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.357 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 50' ' ' LEU . 35.1 mm -51.22 -36.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -51.86 -44.65 63.75 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.45 ' OD1' ' HE3' ' B' ' 29' ' ' LYS . 26.2 t-20 -56.92 -44.94 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.285 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.461 ' O ' HG13 ' B' ' 30' ' ' ILE . 60.3 t -57.03 -44.3 82.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.56 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.722 ' HE3' HD23 ' B' ' 43' ' ' LEU . 47.2 mmtm -60.04 -40.46 89.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.688 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.7 t -59.56 -47.97 83.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' OD1' ' B' ' 25' ' ' ASN . 99.0 mttt -63.85 -46.24 85.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.302 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 26' ' ' VAL . 70.2 mt -61.05 -43.99 97.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.151 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -61.6 -42.09 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.76 -46.83 83.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.73 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' NZ ' HD13 ' B' ' 13' ' ' ILE . 60.7 tttm -74.05 -65.2 0.87 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -65.5 -36.0 82.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.852 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.528 ' O ' HD13 ' B' ' 36' ' ' ILE . . . 81.85 40.04 11.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.473 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.551 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 26.4 mm -126.5 135.21 26.9 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.723 -0.239 . . . . 0.0 110.593 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -51.82 139.96 48.67 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.391 2.061 . . . . 0.0 112.221 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.621 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 18.0 Cg_endo -59.78 -46.66 18.93 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.629 2.219 . . . . 0.0 112.412 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -61.29 -40.84 95.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.708 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 70.4 tp60 -54.07 -47.59 71.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' B' ' 69' ' ' LEU . 54.6 mt-30 -79.5 136.82 37.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 45.2 mtp85 -121.82 100.42 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.889 ' HB3' HD12 ' B' ' 50' ' ' LEU . 4.2 mm? -78.74 140.63 38.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.584 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.548 HD11 HG23 ' A' ' 263' ' ' ILE . 69.0 mt -137.04 140.87 41.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' B' ' 47' ' ' GLY . 19.3 t80 -146.19 145.63 30.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.4 -72.84 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.732 0.645 . . . . 0.0 110.86 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' B' ' 45' ' ' PHE . . . -173.45 36.68 0.13 Allowed Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.728 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -170.08 154.19 4.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 111.653 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.431 ' NE2' HG12 ' B' ' 44' ' ' ILE . 3.2 mm100 -59.32 143.94 47.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.605 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.889 HD12 ' HB3' ' B' ' 43' ' ' LEU . 51.8 mt -77.31 38.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.913 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 39.13 -144.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.864 0.364 . . . . 0.0 111.587 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.46 36.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.542 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.46 44.35 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.304 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' B' ' 54' ' ' ARG . 49.0 mmt-85 -136.75 135.04 37.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 110.863 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.8 p -64.99 137.8 57.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.247 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.702 HD22 HD12 ' B' ' 61' ' ' ILE . 97.7 mt -60.3 -27.84 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.577 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -51.61 -46.95 63.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.333 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.35 -43.46 88.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.899 0.38 . . . . 0.0 110.483 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.446 ' HD1' ' H ' ' B' ' 59' ' ' TYR . 1.3 m-85 -64.66 -31.64 72.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.676 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 63.25 46.76 4.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.702 HD12 HD22 ' B' ' 56' ' ' LEU . 69.1 mt -72.12 128.53 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.263 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -78.15 146.18 35.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.949 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.585 ' HB2' ' NZ ' ' B' ' 63' ' ' LYS . 0.0 OUTLIER -59.73 148.97 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.275 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 65.44 52.62 1.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.633 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.3 m -117.81 140.72 49.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 80.7 m -94.17 116.01 28.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.968 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' B' ' 3' ' ' ILE . 80.3 mt -91.59 137.54 32.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.981 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 43' ' ' LEU . 92.5 m-70 -77.13 146.7 37.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.395 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.684 HD23 ' N ' ' B' ' 70' ' ' VAL . 5.9 tt -134.1 136.13 43.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.171 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.955 HG11 HG13 ' A' ' 263' ' ' ILE . 21.1 t -127.65 124.99 64.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.91 123.92 30.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.034 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.494 ' HA ' ' OE2' ' A' ' 259' ' ' GLU . 78.4 mtp180 -57.8 140.46 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.02 132.76 54.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.8 ttt-85 -173.05 -44.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.772 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.17 -133.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.768 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.295 -1.281 . . . . 0.0 112.76 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 3.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.622 0.248 . . . . 0.0 111.415 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 39.3 Cg_exo -56.8 141.65 92.46 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.631 2.221 . . . . 0.0 112.074 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -52.51 134.7 34.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.01 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 37.0 p-10 -60.16 -36.37 77.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.299 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.84 -36.6 81.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.0 110.704 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.28 -39.07 66.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.581 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.34 -40.46 78.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.548 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.599 ' HB3' HD22 ' B' ' 8' ' ' LEU . 7.6 mp -68.79 -39.53 80.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.6 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.99 HG13 HG11 ' B' ' 70' ' ' VAL . 1.7 mt -57.58 -54.75 27.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.8 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.574 ' HA ' HD12 ' A' ' 267' ' ' ILE . 14.7 ptp180 -64.27 -37.16 86.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.809 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -54.82 -44.94 74.33 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.642 ' HB1' ' CG ' ' B' ' 68' ' ' HIS . . . -64.64 -35.93 82.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.357 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.828 HG23 ' HA2' ' B' ' 47' ' ' GLY . 74.6 mt -62.12 -41.55 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.074 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -65.99 -44.62 84.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.42 -42.89 92.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.029 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 89.0 p -64.81 -44.7 89.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.359 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . 0.593 HD21 ' HA3' ' B' ' 47' ' ' GLY . 85.7 mt -58.41 -46.17 86.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.193 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -60.86 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.579 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.97 -38.73 92.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 83.6 p -76.89 56.54 1.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.549 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -56.49 -43.84 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -172.61 -43.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 70.5 m -162.12 45.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.76 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.141 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.93 0.395 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -77.53 143.25 38.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.672 HD12 HD11 ' B' ' 67' ' ' LEU . 39.2 pt -147.35 139.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -89.24 154.38 20.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.205 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.4 t -135.71 115.62 17.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.339 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.651 ' HB2' HG22 ' B' ' 12' ' ' THR . 40.2 ttmt -93.41 130.77 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.679 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.3 p -86.5 146.53 26.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.997 178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.89 HD21 HG22 ' B' ' 70' ' ' VAL . 93.7 mt -47.86 -36.41 11.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 82.0 p -61.78 -49.18 77.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.7 59.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.731 ' HE3' HD11 ' B' ' 13' ' ' ILE . 63.8 tttp -151.39 116.25 5.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.31 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.651 HG22 ' HB2' ' B' ' 6' ' ' LYS . 68.6 p -95.73 137.89 34.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.888 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.731 HD11 ' HE3' ' B' ' 11' ' ' LYS . 48.7 mm -135.58 139.45 46.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.975 0.417 . . . . 0.0 112.064 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 49.7 m -73.22 144.3 46.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.839 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.686 ' HG ' HG12 ' B' ' 30' ' ' ILE . 0.8 OUTLIER -151.48 119.28 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.31 179.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.4 tp10 -78.99 130.09 35.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.291 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.701 HG11 HG13 ' B' ' 26' ' ' VAL . 16.3 m -153.56 129.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.496 ' HB2' ' OD1' ' B' ' 21' ' ' ASP . 57.7 mm-40 -72.75 137.73 46.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.7 t -56.79 -37.19 70.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.4 t -59.98 -46.06 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' B' ' 18' ' ' GLU . 1.4 m-20 -60.81 138.82 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 82.2 p -70.13 -153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.469 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 50' ' ' LEU . 44.7 mm -85.38 -40.72 15.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -50.39 -44.14 54.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.12 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -58.63 -44.24 89.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.448 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.701 HG13 HG11 ' B' ' 17' ' ' VAL . 44.0 t -59.49 -44.4 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.589 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 46.0 mmtm -60.76 -39.19 87.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -61.5 -47.46 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 mtpm? -64.55 -47.89 77.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.686 HG12 ' HG ' ' B' ' 15' ' ' LEU . 72.0 mt -59.85 -41.08 84.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.569 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.654 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 50.3 tt0 -62.42 -41.24 98.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -62.17 -43.55 98.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.09 -63.27 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -67.84 -41.41 82.99 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 85.5 52.9 3.22 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.278 -179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.428 ' HB ' ' OE1' ' B' ' 41' ' ' GLN . 66.3 mt -136.97 133.21 18.56 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.551 0.215 . . . . 0.0 110.804 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 52.8 Cg_exo -53.08 134.28 55.42 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.567 2.178 . . . . 0.0 112.503 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.654 ' HD3' ' NE2' ' B' ' 31' ' ' GLN . 38.1 Cg_exo -60.3 -43.98 31.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.69 2.26 . . . . 0.0 112.204 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -60.71 -43.23 98.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.068 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 52.1 tt0 -62.23 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 19.5 pt20 -66.0 144.42 56.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.19 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -138.89 127.53 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HA ' ' O ' ' B' ' 68' ' ' HIS . 87.4 mt -85.54 143.41 28.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.246 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 56.0 mt -135.74 139.77 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.453 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.703 ' HB3' HD11 ' B' ' 50' ' ' LEU . 33.9 t80 -161.73 148.16 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.522 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.86 36.59 18.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.727 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.828 ' HA2' HG23 ' A' ' 267' ' ' ILE . . . 60.55 40.24 97.53 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.792 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' B' ' 48' ' ' LYS . 5.7 ttpm? -164.62 131.41 3.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.629 0.252 . . . . 0.0 111.07 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -63.55 135.34 56.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.119 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.9 mp -76.96 31.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.698 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.16 -147.82 0.05 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 111.224 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -160.33 45.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.425 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 47.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' H ' HG12 ' B' ' 23' ' ' ILE . 37.6 mmt180 -145.8 140.01 26.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 111.1 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 81.9 p -60.13 137.47 58.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.593 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.554 HD22 HD12 ' B' ' 61' ' ' ILE . 86.8 mt -63.38 -36.22 83.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.209 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -51.77 -41.11 61.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.441 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.8 -44.79 86.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.35 -27.62 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.327 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 m120 64.64 44.77 3.75 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.554 HD12 HD22 ' B' ' 56' ' ' LEU . 64.1 mt -59.48 135.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.343 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -68.79 143.2 54.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.55 ' HG2' ' HG3' ' B' ' 64' ' ' GLU . 63.1 tttp -61.91 135.02 57.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.55 ' HG3' ' HG2' ' B' ' 63' ' ' LYS . 50.2 mt-10 57.94 38.9 27.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.322 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.3 p -90.96 144.09 26.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -79.35 135.62 36.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.672 HD11 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -116.76 128.54 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.655 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 93.3 m-70 -71.66 129.82 39.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.638 HD23 ' N ' ' B' ' 70' ' ' VAL . 6.8 tt -117.58 135.42 53.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.605 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.99 HG11 HG13 ' A' ' 263' ' ' ILE . 59.5 t -135.94 128.02 45.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.831 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.9 126.01 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.238 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.444 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 50.7 ttt-85 -72.31 141.25 48.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.8 mt -133.84 132.28 40.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -67.13 -43.64 81.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.32 47.0 91.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.639 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.492 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 256' ' ' PRO . 26.9 t80 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.519 0.199 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 255' ' ' TYR . 32.0 Cg_exo -59.58 136.55 71.87 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.571 2.181 . . . . 0.0 112.457 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -59.32 137.0 58.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.716 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.95 -44.18 96.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' B' ' 72' ' ' ARG . 41.1 tt0 -64.33 -51.01 65.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.426 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 264' ' ' ARG . 45.8 tp10 -62.74 -41.33 99.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.399 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.3 -43.44 83.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.141 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.594 HD13 HD21 ' B' ' 8' ' ' LEU . 96.8 mt -67.84 -47.62 68.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 263' ' ' ILE . . . . . 0.919 ' HA ' HG21 ' B' ' 70' ' ' VAL . 37.7 mt -57.15 -54.52 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.912 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 260' ' ' GLU . 3.7 ptm85 -61.6 -33.59 74.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.438 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 265' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' A' ' 269' ' ' LEU . 40.3 ttmt -54.8 -48.67 72.45 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 266' ' ' ALA . . . . . 0.666 ' HB1' ' HB3' ' B' ' 68' ' ' HIS . . . -65.38 -33.48 76.07 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.559 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 267' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 263' ' ' ILE . 46.4 mm -59.2 -48.23 87.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.841 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 268' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.55 -46.3 83.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.764 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 265' ' ' LYS . 89.0 mt -56.21 -38.97 71.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . 0.513 ' HB2' ' CD2' ' B' ' 68' ' ' HIS . 37.6 t -66.3 -49.61 66.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.29 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' LEU . . . . . . . . . . . . . 92.0 mt -54.82 -43.04 72.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -62.45 -39.46 93.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.336 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.98 -34.86 72.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.552 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' SER . . . . . . . . . . . . . 40.8 t -156.77 121.63 4.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' ARG . . . . . 0.49 ' N ' ' HD3' ' A' ' 275' ' ' ARG . 0.9 OUTLIER -72.46 -55.28 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.21 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' ASN . . . . . 0.551 HD22 ' N ' ' A' ' 276' ' ' ASN . 0.0 OUTLIER -66.64 142.94 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.91 0.386 . . . . 0.0 111.044 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' SER . . . . . . . . . . . . . 54.9 m -58.06 131.19 49.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.138 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -102.1 137.99 39.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.657 HD12 HD11 ' B' ' 67' ' ' LEU . 14.3 pt -139.53 138.27 39.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.63 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.447 ' CB ' HG22 ' B' ' 66' ' ' THR . 8.8 m-85 -71.07 174.12 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 0.0 111.698 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 t -142.23 105.47 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.04 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.518 ' HE3' ' HA2' ' B' ' 10' ' ' GLY . 87.4 tttt -95.44 133.43 39.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.528 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.6 p -88.28 -152.53 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.597 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD21 HD13 ' A' ' 262' ' ' LEU . 6.9 mp -75.43 -56.14 5.0 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.893 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.5 m -62.08 -50.73 70.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.081 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.518 ' HA2' ' HE3' ' B' ' 6' ' ' LYS . . . 148.2 25.94 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' B' ' 6' ' ' LYS . 58.5 tptt -81.57 115.38 20.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 110.7 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -100.72 132.39 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.3 mt -137.8 130.92 42.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.392 . . . . 0.0 111.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -63.95 137.53 58.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.971 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.668 ' HG ' HG12 ' B' ' 30' ' ' ILE . 3.4 tm? -143.67 110.62 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 137.04 43.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.05 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 1.069 HG21 HG22 ' B' ' 26' ' ' VAL . 10.9 p -166.91 129.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 111.547 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.32 142.1 55.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.002 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 43.1 t -56.67 -39.92 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.0 m -58.41 -40.04 81.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -55.17 134.35 49.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 72.4 p -74.64 -157.32 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.099 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.63 HG21 ' O ' ' B' ' 51' ' ' GLU . 46.5 mm -80.29 -46.98 21.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.68 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.84 -38.83 57.42 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.607 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 3.3 m120 -61.73 -45.89 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.653 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 1.069 HG22 HG21 ' B' ' 17' ' ' VAL . 44.7 t -61.68 -49.13 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.369 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 74.6 mmtt -59.72 -42.82 93.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.751 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 84.5 p -60.18 -47.14 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 55.5 mtpt -61.44 -44.51 96.99 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.427 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.668 HG12 ' HG ' ' B' ' 15' ' ' LEU . 77.9 mt -58.53 -39.98 77.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.287 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.414 ' O ' ' HA2' ' B' ' 35' ' ' GLY . 7.7 tt0 -62.1 -43.01 99.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.555 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.04 -44.65 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.372 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -76.66 -62.96 1.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -73.83 -43.69 57.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 31' ' ' GLN . . . 92.16 55.16 1.75 Allowed Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.505 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.8 mt -138.13 132.96 17.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.549 0.214 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 47.6 Cg_exo -56.53 130.55 40.6 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.521 2.148 . . . . 0.0 112.275 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.63 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 32.1 Cg_exo -61.6 -43.28 27.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.659 2.239 . . . . 0.0 112.629 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -60.02 -40.04 87.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.85 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -69.13 -49.1 60.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.281 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 24.8 pt20 -70.96 129.6 39.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.343 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.529 ' HB2' ' HB ' ' B' ' 70' ' ' VAL . 27.1 mmm180 -100.29 132.06 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.345 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.579 ' HB2' ' CE ' ' B' ' 27' ' ' LYS . 16.9 tp -91.83 133.93 35.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.954 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 263' ' ' ILE . 73.2 mt -145.02 143.89 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.282 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' B' ' 50' ' ' LEU . 27.7 t80 -165.02 141.52 5.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.7 42.8 31.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.21 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.17 33.38 64.73 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.851 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -150.6 127.56 11.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 110.621 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -67.51 134.5 51.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' B' ' 45' ' ' PHE . 6.0 mp -88.05 131.19 34.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.7 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.63 ' O ' HG21 ' B' ' 23' ' ' ILE . 52.4 mt-10 -68.17 -155.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.447 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.626 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 44.6 m-20 -123.21 -55.47 1.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 0.0 111.109 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.29 53.45 4.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.66 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -143.92 135.43 25.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.943 0.401 . . . . 0.0 111.409 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 69.9 p -72.88 141.56 47.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.122 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -57.47 -33.54 68.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.8 m -52.14 -42.21 63.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.87 -46.01 82.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.49 -30.68 69.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.63 47.91 4.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.207 0.527 . . . . 0.0 110.21 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 70.0 mt -63.4 134.05 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.292 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.48 146.35 52.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.346 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.691 ' HG2' ' HG2' ' B' ' 64' ' ' GLU . 39.9 ttpt -65.18 145.16 56.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.735 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' B' ' 63' ' ' LYS . 56.0 mm-40 61.96 36.9 15.4 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.5 m -101.12 141.86 33.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.447 HG22 ' CB ' ' B' ' 4' ' ' PHE . 82.0 p -86.12 123.67 31.68 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.987 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.657 HD11 HD12 ' B' ' 3' ' ' ILE . 89.5 mt -88.25 123.87 33.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.526 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.666 ' HB3' ' HB1' ' A' ' 266' ' ' ALA . 92.0 m-70 -76.37 131.06 38.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.015 0.436 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.71 HD23 ' N ' ' B' ' 70' ' ' VAL . 7.3 tt -120.68 142.91 49.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.96 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.919 HG21 ' HA ' ' A' ' 263' ' ' ILE . 48.5 t -136.38 116.85 17.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.751 0.31 . . . . 0.0 110.99 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.432 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -67.73 129.51 40.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.891 0.377 . . . . 0.0 111.378 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.693 ' HG2' ' HG ' ' B' ' 73' ' ' LEU . 39.0 ttm180 -71.31 129.95 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.693 ' HG ' ' HG2' ' B' ' 72' ' ' ARG . 54.5 mt 53.72 -136.61 1.32 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.69 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -61.04 137.03 58.25 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.752 0.311 . . . . 0.0 110.757 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.66 45.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.446 -1.197 . . . . 0.0 112.468 179.977 . . . . . . . . 0 0 . 1 stop_ save_