data_2mxb_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 2mxb _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.717 0.294 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.59 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.59 ' N ' ' HG ' ' A' ' 38' ' ' SER . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.673 0.273 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' H ' ' HG1' ' A' ' 19' ' ' THR . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 43' ' ' LEU . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' H ' ' HG1' ' A' ' 42' ' ' THR . 4.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.725 0.297 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.825 0.345 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' A' ' 42' ' ' THR . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 39' ' ' HIS . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.761 0.315 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 28' ' ' SER . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.961 0.41 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.775 0.322 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.724 0.297 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 32' ' ' THR . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.759 0.314 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 HD12 HG21 ' A' ' 23' ' ' ILE . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.514 ' O ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.723 0.297 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 28' ' ' SER . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 28' ' ' SER . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.444 ' H ' HG13 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 39' ' ' HIS . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 35' ' ' ALA . 9.9 m-70 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.69 0.281 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.763 0.316 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.95 -9.7 6.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 162.87 18.77 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 6' ' ' SER . 38.2 Cg_endo -70.85 138.07 33.59 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.613 2.209 . . . . 0.0 111.989 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.04 -6.0 0.75 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -74.51 -35.26 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.669 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -33.88 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -85.53 -43.42 13.55 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.3 m -65.26 -11.33 40.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.752 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.31 11.07 27.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -65.94 -1.76 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -103.78 23.26 13.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -35.42 53.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -171.65 82.22 0.49 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.238 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.69 -29.08 3.78 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.581 2.188 . . . . 0.0 112.147 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -51.49 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.94 -45.9 85.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -56.23 -46.83 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -63.85 -45.21 90.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.64 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -73.68 -43.08 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -139.7 74.31 33.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.619 0 C-N-CA 122.796 2.331 . . . . 0.0 112.332 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.11 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.51 60.74 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -73.58 131.95 16.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.864 2.376 . . . . 0.0 112.332 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -4.66 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -35.91 79.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -53.6 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.74 -42.1 74.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -69.35 -6.87 32.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.593 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.67 -31.03 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.91 -5.72 52.71 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.961 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -131.11 40.77 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -27.21 64.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.26 82.9 39.97 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.331 0.586 . . . . 0.0 110.263 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -80.16 -38.57 0.32 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.769 2.313 . . . . 0.0 111.998 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.1 -41.93 98.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.59 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' N ' ' HG ' ' A' ' 38' ' ' SER . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.71 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.56 -45.58 93.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.574 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.11 -41.53 90.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.554 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -55.62 -47.48 76.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.1 mt -67.7 -38.51 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -133.7 74.25 70.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.84 2.36 . . . . 0.0 112.015 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -141.11 0.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.54 60.8 14.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.44 149.04 43.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 112.165 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.69 -10.79 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -64.72 -25.27 67.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.492 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -51.84 66.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -36.34 62.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -55.77 -31.88 62.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.72 -44.48 10.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.112 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -68.8 -6.71 28.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.72 27.4 9.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.64 -35.46 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -172.51 82.65 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.288 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -80.58 -3.49 12.48 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.821 2.347 . . . . 0.0 112.148 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.39 -34.26 77.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' H ' ' HG1' ' A' ' 19' ' ' THR . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 43' ' ' LEU . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' H ' ' HG1' ' A' ' 42' ' ' THR . 4.7 mt -57.94 -44.88 87.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -62.52 -39.42 93.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.04 -39.81 94.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -64.05 -41.16 97.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.99 -33.92 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -136.2 68.59 62.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.821 2.347 . . . . 0.0 112.218 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -152.56 10.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -147.91 63.15 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.54 ' C ' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_endo -74.47 149.85 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.791 2.327 . . . . 0.0 112.022 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.12 -7.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.055 0.455 . . . . 0.0 110.74 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 4' ' ' PRO . 2.9 t -58.72 -34.56 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.419 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -46.72 68.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 4.1 mm? -54.45 -35.1 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 110.66 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -77.06 -42.41 38.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.724 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.24 57.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.591 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -5.59 47.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.79 -9.1 47.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.31 -20.55 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -160.34 82.39 2.19 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.25 -10.37 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.015 2.477 . . . . 0.0 112.152 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -60.53 -31.25 70.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.617 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -41.82 98.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.594 HE21 ' CA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.13 -42.65 99.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.488 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -40.4 91.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -65.26 -32.72 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.86 -20.75 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -146.64 68.08 11.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.704 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 C--N 1.306 -1.678 0 C-N-CA 122.85 2.367 . . . . 0.0 112.183 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 3' ' ' GLU . 4.8 p -86.95 -1.39 57.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.6 tt0 19.07 72.27 0.22 Allowed Pre-proline 0 N--CA 1.464 0.229 0 O-C-N 124.272 0.983 . . . . 0.0 110.962 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -54.88 155.46 18.12 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.841 2.361 . . . . 0.0 111.957 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -65.84 -4.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.083 0.468 . . . . 0.0 110.617 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -63.84 -34.31 77.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -49.27 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.04 -38.78 92.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -79.2 -14.6 58.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 -0.59 25.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.68 -2.07 16.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.625 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -96.94 10.79 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.39 -38.22 8.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -174.43 83.39 0.35 Allowed Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.259 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' O ' ' OG1' ' A' ' 19' ' ' THR . 32.1 Cg_exo -57.23 -30.73 88.45 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.832 2.355 . . . . 0.0 112.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.4 -53.93 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.1 -41.14 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.427 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -57.48 -51.2 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.54 -45.04 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.83 159.4 69.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.622 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 C-N-CA 122.798 2.332 . . . . 0.0 112.016 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -170.58 15.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 21.9 tt0 -146.86 54.05 1.9 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 27.8 Cg_endo -63.23 134.75 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.812 2.341 . . . . 0.0 112.164 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -61.54 -4.61 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 4' ' ' PRO . 4.3 p -73.12 -31.93 64.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -51.29 62.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.37 -41.26 73.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 1.3 m -68.87 -3.72 13.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.0 -37.69 6.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.103 0.477 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 13' ' ' LEU . 6.4 t -88.54 -2.22 58.48 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.739 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -4.3 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -123.46 24.97 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.767 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -170.28 82.25 0.58 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.095 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.26 -3.45 12.11 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.768 2.312 . . . . 0.0 112.386 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.41 -36.12 82.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' O ' ' OG1' ' A' ' 42' ' ' THR . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 39' ' ' HIS . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -47.74 78.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.56 -44.91 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.71 -49.26 78.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -58.08 -38.37 76.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -73.58 -37.94 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -66.84 159.45 75.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo . . . . . 0 C--N 1.31 -1.493 0 C-N-CA 122.839 2.359 . . . . 0.0 112.156 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.53 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.713 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 44.1 mm-40 -128.54 54.76 14.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.622 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 31.0 Cg_endo -65.02 141.23 69.41 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 112.049 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.96 -8.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 4' ' ' PRO . 72.7 m -55.36 -34.58 64.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -53.78 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 4.2 mm? -53.37 -29.38 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.44 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.643 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -14.18 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.69 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -74.2 -6.49 48.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.48 -35.74 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.986 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.41 -21.97 57.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.637 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.02 82.07 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.56 -4.75 12.37 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.834 2.356 . . . . 0.0 112.213 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -35.97 79.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -42.47 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.59 85.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.81 -39.99 87.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.34 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -47.48 84.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.29 158.89 76.22 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--N 1.307 -1.622 0 C-N-CA 122.798 2.332 . . . . 0.0 112.055 179.619 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.38 21.9 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 33.4 mm-40 -136.64 55.86 12.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.3 Cg_endo -66.55 153.49 77.82 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.744 2.296 . . . . 0.0 111.92 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -5.58 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.783 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -70.01 -32.68 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.39 -47.71 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.03 -39.4 55.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -59.06 -14.96 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.35 -52.42 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.495 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -12.13 32.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.787 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 12' ' ' ASP . 1.3 m-20 -122.03 37.47 4.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.46 -17.96 48.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.642 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.5 158.04 33.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.71 -46.35 6.99 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.76 -40.67 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 28' ' ' SER . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -46.59 75.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.54 -40.23 82.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.432 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.3 -46.75 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -53.44 -42.34 67.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -77.96 -41.76 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.8 76.33 77.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.772 2.314 . . . . 0.0 112.139 -179.809 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.47 12.19 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 160.29 39.8 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.684 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.75 136.81 36.82 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.119 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -35.74 69.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.512 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -53.34 49.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 110.808 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.2 -46.21 78.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.644 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -68.08 -9.19 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.59 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.21 -20.48 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 t -91.79 -17.14 25.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 14' ' ' ASP . 66.3 m-20 -122.29 39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.33 -22.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' ASP . 1.1 m-20 -125.47 82.37 63.11 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.64 -42.64 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 C-N-CA 122.496 2.131 . . . . 0.0 112.439 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.33 -48.99 78.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -59.66 -45.37 92.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -45.58 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -62.73 -43.01 99.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.36 -38.69 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -134.38 75.0 65.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--N 1.308 -1.592 0 C-N-CA 122.791 2.328 . . . . 0.0 112.165 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' C ' ' H ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 52.22 11.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 1' ' ' MET . 24.4 mm-40 -129.25 58.27 36.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.14 158.16 58.83 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.793 2.329 . . . . 0.0 112.059 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -5.27 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.673 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -32.67 69.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.487 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.25 -52.56 65.13 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.6 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 4.0 mm? -62.23 -36.85 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.525 ' H ' ' HG1' ' A' ' 9' ' ' THR . 0.2 OUTLIER -63.18 -36.23 82.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 1.92 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 9' ' ' THR . 27.9 t -70.83 -10.36 59.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.97 0.15 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 15' ' ' PRO . 8.0 mt -107.45 -14.78 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.573 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' A' ' 13' ' ' LEU . 5.0 p30 -21.66 87.09 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 O-C-N 124.282 0.989 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' LEU . 31.2 Cg_exo -56.88 -19.52 32.12 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.903 2.402 . . . . 0.0 111.988 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.24 -42.42 73.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.51 -37.76 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.87 -49.69 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -59.51 -19.19 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -46.75 11.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.659 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tp -76.98 -28.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -134.95 73.73 65.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.609 0 C-N-CA 122.785 2.323 . . . . 0.0 112.185 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 2' ' ' SER . 2.9 t -160.2 11.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.6 mp0 -133.78 74.66 69.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.69 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -53.74 157.35 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.766 2.311 . . . . 0.0 112.127 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.82 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.114 0.483 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -52.27 19.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.84 -38.47 70.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -70.7 -44.51 66.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 110.147 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m -63.73 -16.42 61.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.057 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.0 -20.51 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.528 ' C ' ' H ' ' A' ' 13' ' ' LEU . 29.4 t -92.29 -6.07 51.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.78 15.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -141.65 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.56 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.44 82.61 22.43 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.376 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.95 -39.59 0.6 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 122.301 2.001 . . . . 0.0 112.326 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.94 -44.21 94.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 32' ' ' THR . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -41.32 84.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -66.01 -42.27 89.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.67 -36.12 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -77.06 -33.82 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.6 74.69 64.86 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.741 2.294 . . . . 0.0 112.092 -179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' GLU . 1.1 t 66.67 9.31 6.56 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.2 pt-20 -21.71 87.92 0.04 OUTLIER Pre-proline 0 C--N 1.343 0.313 0 O-C-N 124.416 1.073 . . . . 0.0 110.98 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 2' ' ' SER . 40.3 Cg_exo -54.74 131.41 45.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.76 2.306 . . . . 0.0 112.181 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -5.84 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 110.68 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 4' ' ' PRO . 15.2 m -72.74 -25.35 61.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.49 -51.7 68.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -40.85 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -62.17 -22.45 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.97 -26.59 18.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.8 t -92.19 -6.37 50.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.93 14.37 0.53 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -136.79 6.57 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.619 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.63 82.55 3.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.354 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.13 -1.12 10.99 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 123.048 2.499 . . . . 0.0 112.421 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.79 -41.27 90.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.657 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -38.13 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' N ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER -60.38 -39.79 88.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -44.36 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -47.98 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.46 -27.48 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.4 76.37 68.04 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.468 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--N 1.306 -1.695 0 C-N-CA 122.938 2.426 . . . . 0.0 112.058 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 5.3 t 57.89 37.37 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.646 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 1' ' ' MET . 1.9 pm0 -57.97 156.59 18.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.856 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.55 142.75 45.19 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.731 2.287 . . . . 0.0 112.038 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.08 -6.91 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -31.54 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.595 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -52.85 60.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.08 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.489 ' H ' ' HG1' ' A' ' 9' ' ' THR . 1.6 m -61.9 -9.81 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.735 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.27 8.53 25.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.72 -72.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.58 23.62 1.59 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.26 -27.76 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 83.71 13.34 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 121.241 0.544 . . . . 0.0 110.439 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.33 -34.68 89.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.833 2.355 . . . . 0.0 112.043 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.18 -54.14 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.05 -41.3 87.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -56.33 -49.23 74.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.28 -39.6 87.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -65.39 -40.24 93.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -74.59 -33.14 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.741 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -140.99 70.9 28.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.304 -1.798 0 C-N-CA 122.808 2.338 . . . . 0.0 112.182 -179.679 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -152.11 23.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 1.7 mp0 -101.82 154.32 37.39 Favored Pre-proline 0 N--CA 1.454 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.715 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' SER . 32.9 Cg_endo -65.89 131.7 28.09 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.826 2.351 . . . . 0.0 112.134 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -58.23 -3.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 4' ' ' PRO . 9.6 m -55.53 -42.66 74.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -52.2 -50.4 62.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.96 -32.35 69.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.948 0.404 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 3.6 m -65.16 -19.91 66.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 -23.62 12.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 13' ' ' LEU . 5.7 t -93.4 -2.33 54.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.175 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 10.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.956 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.616 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -88.05 -29.17 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -170.28 81.58 0.59 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.2 -9.83 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 123.136 2.557 . . . . 0.0 112.259 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -34.09 77.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.781 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 HD12 HG21 ' A' ' 23' ' ' ILE . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.57 -39.01 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -45.2 95.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.34 -44.63 94.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.88 -37.29 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -71.59 -32.93 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -145.35 76.69 13.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.069 0.462 . . . . 0.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.835 2.357 . . . . 0.0 112.059 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.29 8.13 5.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -77.96 153.65 80.26 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.493 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.97 134.78 33.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.724 2.283 . . . . 0.0 112.21 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -5.25 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -73.26 -26.1 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -43.75 91.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.67 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.89 -42.32 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.072 0.463 . . . . 0.0 110.641 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -58.68 -22.88 58.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 11.42 30.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.66 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -50.47 -67.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.796 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -144.16 21.13 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.33 37.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.805 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -53.49 161.3 1.55 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.92 -29.06 49.95 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.887 2.391 . . . . 0.0 111.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -53.15 61.16 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.514 ' O ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -51.49 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -39.5 72.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.01 -40.17 90.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -69.52 -37.11 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -67.18 -39.85 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -129.48 76.57 78.54 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--N 1.306 -1.675 0 C-N-CA 122.872 2.382 . . . . 0.0 112.044 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 35.4 t 46.34 15.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 1' ' ' MET . 15.0 mt-10 -148.29 155.62 42.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.73 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.08 141.02 62.06 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.559 2.173 . . . . 0.0 112.099 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -64.36 -4.09 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -61.62 -35.43 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.67 -53.64 36.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.804 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.82 -36.8 75.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 1.5 m -65.73 -14.98 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.682 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.37 -33.01 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 13' ' ' LEU . 2.2 t -91.18 -1.58 57.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.17 1.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' PRO . 6.3 mt -86.61 -20.58 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 13' ' ' LEU . 7.8 t70 -23.25 88.48 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 124.19 0.931 . . . . 0.0 110.518 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 32.4 Cg_exo -54.25 -33.24 74.63 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.418 2.078 . . . . 0.0 112.495 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.57 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 28' ' ' SER . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 28' ' ' SER . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.444 ' H ' HG13 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 39' ' ' HIS . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 35' ' ' ALA . 9.9 m-70 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -46.22 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.84 98.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -68.11 -26.07 65.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.66 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -74.09 -44.59 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.84 -36.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.7 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.86 75.11 67.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.906 2.404 . . . . 0.0 112.15 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.11 5.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.8 tt0 -169.76 54.81 0.24 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.572 ' C ' ' H ' ' A' ' 6' ' ' SER . 37.3 Cg_endo -67.29 156.52 65.87 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.603 2.202 . . . . 0.0 112.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -54.19 -4.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.569 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 4' ' ' PRO . 16.2 m -50.47 -42.87 54.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.326 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -53.12 28.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.9 mm? -61.61 -9.78 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 19.8 m -99.77 -38.5 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.74 65.84 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.607 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -3.37 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.446 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.4 -3.87 24.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 15.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 163.24 7.54 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -44.67 -54.41 4.15 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.699 2.266 . . . . 0.0 112.259 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.82 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.653 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -42.88 99.92 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -61.29 -44.21 97.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -48.73 -47.23 41.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 47' ' ' ILE . 1.7 mp -81.31 -28.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -131.66 73.7 78.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.122 0.487 . . . . 0.0 110.624 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.793 2.329 . . . . 0.0 112.285 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 3' ' ' GLU . 4.0 mmt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.06 0.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -159.13 61.53 1.87 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.84 130.52 14.64 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.687 2.258 . . . . 0.0 112.001 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -63.31 -9.04 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.645 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -29.5 69.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.618 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.63 -53.36 58.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.85 -35.34 79.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 3.9 m -62.27 -23.74 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.67 -20.27 15.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.1 t -91.18 -3.6 56.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.741 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 46.2 t0 -66.44 1.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.753 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -116.68 1.84 12.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -169.0 82.68 0.68 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.414 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 -11.76 12.15 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.956 2.438 . . . . 0.0 112.223 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.41 -29.07 70.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.67 87.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -57.58 -41.98 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -25.15 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -70.05 -38.58 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.57 -56.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -109.27 150.65 41.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--N 1.311 -1.414 0 C-N-CA 122.898 2.399 . . . . 0.0 112.491 179.619 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 25.78 2.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 pt-20 -138.86 55.34 7.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.4 Cg_endo -68.65 130.81 21.45 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.316 . . . . 0.0 112.159 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.71 -4.85 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -72.16 -30.06 64.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -49.0 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 1.2 mp -75.36 -45.41 39.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.554 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -57.13 -17.4 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.45 -47.07 7.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 13' ' ' LEU . 10.1 t -61.52 -13.52 21.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -64.65 -0.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 11' ' ' SER . 2.2 pp -60.42 -27.14 67.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.11 45.37 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.06 -42.1 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.838 2.359 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -47.76 78.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.653 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -55.59 -42.77 75.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.16 -45.6 91.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.83 -21.5 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -75.07 -43.57 52.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.48 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' CD1' ' C ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.08 152.3 41.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 122.865 2.377 . . . . 0.0 112.112 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 tpp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -85.95 -3.17 58.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -135.59 59.3 29.84 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 121.105 0.479 . . . . 0.0 110.724 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 131.32 16.19 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.627 2.218 . . . . 0.0 112.119 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -4.24 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.75 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -30.61 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.458 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -42.51 63.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.6 mp -81.72 -51.22 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -54.85 -9.97 0.41 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.659 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' A' ' 12' ' ' ASP . . . -98.99 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -61.3 -4.34 1.18 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 10' ' ' ALA . 22.4 t70 -60.91 -13.71 17.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.844 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.49 -27.57 49.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.071 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.41 82.53 68.06 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.7 -45.71 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.726 2.284 . . . . 0.0 112.149 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.84 -43.77 77.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -58.63 -48.03 82.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.4 -50.14 68.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -61.28 -38.69 87.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 47' ' ' ILE . 82.0 mt -80.21 -10.19 12.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.34 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -140.93 66.6 26.31 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.306 -1.665 0 C-N-CA 122.809 2.34 . . . . 0.0 112.29 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 21' ' ' SER . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.717 0.294 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' SER . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' LEU . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.673 0.273 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' SER . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.725 0.297 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 21' ' ' SER . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.825 0.345 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' ILE . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 21' ' ' SER . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 38' ' ' SER . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' HG22 ' A' ' 23' ' ' ILE . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' SER . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 29' ' ' LEU . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.761 0.315 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 21' ' ' SER . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.961 0.41 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 21' ' ' SER . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 29' ' ' LEU . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.775 0.322 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 21' ' ' SER . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' THR . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 38' ' ' SER . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.724 0.297 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' SER . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' SER . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.759 0.314 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 25' ' ' VAL . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' SER . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HD1' ' C ' ' A' ' 39' ' ' HIS . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' SER . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 23' ' ' ILE . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' HG23 ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.723 0.297 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 18' ' ' LEU . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 27' ' ' ILE . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 21' ' ' SER . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 24' ' ' LEU . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.69 0.281 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 21' ' ' SER . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.763 0.316 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 17' ' ' ILE . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 21' ' ' SER . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.95 -9.7 6.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 162.87 18.77 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' SER . 38.2 Cg_endo -70.85 138.07 33.59 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.613 2.209 . . . . 0.0 111.989 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.04 -6.0 0.75 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -74.51 -35.26 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.669 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -58.84 -33.88 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -85.53 -43.42 13.55 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' HG22 ' A' ' 9' ' ' THR . 48.3 m -65.26 -11.33 40.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.752 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.31 11.07 27.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -65.94 -1.76 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -103.78 23.26 13.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -35.42 53.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -171.65 82.22 0.49 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.238 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.69 -29.08 3.78 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.581 2.188 . . . . 0.0 112.147 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -51.49 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 21' ' ' SER . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.94 -45.9 85.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -56.23 -46.83 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -63.85 -45.21 90.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.64 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -73.68 -43.08 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -139.7 74.31 33.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.619 0 C-N-CA 122.796 2.331 . . . . 0.0 112.332 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.11 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.51 60.74 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -73.58 131.95 16.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.864 2.376 . . . . 0.0 112.332 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -4.66 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -35.91 79.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -53.6 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.74 -42.1 74.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -69.35 -6.87 32.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.593 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.67 -31.03 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.91 -5.72 52.71 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.961 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -131.11 40.77 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -27.21 64.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.26 82.9 39.97 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.331 0.586 . . . . 0.0 110.263 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -80.16 -38.57 0.32 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.769 2.313 . . . . 0.0 111.998 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.1 -41.93 98.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' SER . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' LEU . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.71 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.56 -45.58 93.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.574 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.11 -41.53 90.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.554 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -55.62 -47.48 76.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.1 mt -67.7 -38.51 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -133.7 74.25 70.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.84 2.36 . . . . 0.0 112.015 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -141.11 0.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.54 60.8 14.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.44 149.04 43.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 112.165 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.69 -10.79 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -64.72 -25.27 67.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.492 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -51.84 66.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -36.34 62.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -55.77 -31.88 62.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.72 -44.48 10.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.112 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -68.8 -6.71 28.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.72 27.4 9.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.64 -35.46 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -172.51 82.65 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.288 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -80.58 -3.49 12.48 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.821 2.347 . . . . 0.0 112.148 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.39 -34.26 77.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' SER . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.94 -44.88 87.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.52 -39.42 93.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.04 -39.81 94.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -64.05 -41.16 97.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.99 -33.92 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -136.2 68.59 62.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.821 2.347 . . . . 0.0 112.218 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -152.56 10.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -147.91 63.15 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_endo -74.47 149.85 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.791 2.327 . . . . 0.0 112.022 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.12 -7.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.055 0.455 . . . . 0.0 110.74 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 4' ' ' PRO . 2.9 t -58.72 -34.56 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.419 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -46.72 68.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.1 mm? -54.45 -35.1 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 110.66 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -77.06 -42.41 38.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.724 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.24 57.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.591 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -5.59 47.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.79 -9.1 47.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 13' ' ' LEU . 1.7 mt -93.31 -20.55 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.516 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -160.34 82.39 2.19 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.25 -10.37 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.015 2.477 . . . . 0.0 112.152 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -60.53 -31.25 70.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.617 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 21' ' ' SER . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -41.82 98.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.13 -42.65 99.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.488 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -40.4 91.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -65.26 -32.72 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.86 -20.75 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -146.64 68.08 11.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.704 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 C--N 1.306 -1.678 0 C-N-CA 122.85 2.367 . . . . 0.0 112.183 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 3' ' ' GLU . 4.8 p -86.95 -1.39 57.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.6 tt0 19.07 72.27 0.22 Allowed Pre-proline 0 N--CA 1.464 0.229 0 O-C-N 124.272 0.983 . . . . 0.0 110.962 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -54.88 155.46 18.12 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.841 2.361 . . . . 0.0 111.957 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -65.84 -4.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.083 0.468 . . . . 0.0 110.617 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -63.84 -34.31 77.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -49.27 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.04 -38.78 92.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -79.2 -14.6 58.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 -0.59 25.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.68 -2.07 16.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.625 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -96.94 10.79 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.39 -38.22 8.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -174.43 83.39 0.35 Allowed Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.259 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' O ' ' OG1' ' A' ' 19' ' ' THR . 32.1 Cg_exo -57.23 -30.73 88.45 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.832 2.355 . . . . 0.0 112.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.4 -53.93 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' ILE . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 21' ' ' SER . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 38' ' ' SER . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -57.1 -41.14 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.427 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -57.48 -51.2 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 43' ' ' LEU . 22.9 mt -59.54 -45.04 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.83 159.4 69.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.622 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 C-N-CA 122.798 2.332 . . . . 0.0 112.016 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -170.58 15.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 21.9 tt0 -146.86 54.05 1.9 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 27.8 Cg_endo -63.23 134.75 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.812 2.341 . . . . 0.0 112.164 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 -4.61 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' PRO . 4.3 p -73.12 -31.93 64.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -51.29 62.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.37 -41.26 73.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -68.87 -3.72 13.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.0 -37.69 6.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.103 0.477 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -88.54 -2.22 58.48 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.739 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -4.3 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.46 24.97 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.767 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -170.28 82.25 0.58 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.095 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.26 -3.45 12.11 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.768 2.312 . . . . 0.0 112.386 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.41 -36.12 82.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' HG22 ' A' ' 23' ' ' ILE . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' SER . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -47.74 78.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.56 -44.91 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.71 -49.26 78.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -58.08 -38.37 76.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -73.58 -37.94 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -66.84 159.45 75.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo . . . . . 0 C--N 1.31 -1.493 0 C-N-CA 122.839 2.359 . . . . 0.0 112.156 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.53 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.713 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 44.1 mm-40 -128.54 54.76 14.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.622 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 31.0 Cg_endo -65.02 141.23 69.41 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 112.049 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.96 -8.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -55.36 -34.58 64.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -53.78 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.2 mm? -53.37 -29.38 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.44 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.643 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -14.18 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.69 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -74.2 -6.49 48.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.48 -35.74 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.986 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.41 -21.97 57.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.637 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.02 82.07 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.56 -4.75 12.37 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.834 2.356 . . . . 0.0 112.213 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -35.97 79.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' N ' ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 29' ' ' LEU . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -42.47 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.6 -37.59 85.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.81 -39.99 87.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.34 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -47.48 84.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.29 158.89 76.22 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--N 1.307 -1.622 0 C-N-CA 122.798 2.332 . . . . 0.0 112.055 179.619 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.38 21.9 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 33.4 mm-40 -136.64 55.86 12.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.3 Cg_endo -66.55 153.49 77.82 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.744 2.296 . . . . 0.0 111.92 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -5.58 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.783 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -70.01 -32.68 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.39 -47.71 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.03 -39.4 55.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -59.06 -14.96 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.35 -52.42 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.495 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -12.13 32.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.787 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 12' ' ' ASP . 1.3 m-20 -122.03 37.47 4.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.46 -17.96 48.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.642 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.5 158.04 33.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.71 -46.35 6.99 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.76 -40.67 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 21' ' ' SER . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -46.59 75.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.54 -40.23 82.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.432 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.3 -46.75 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -53.44 -42.34 67.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -77.96 -41.76 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.8 76.33 77.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.772 2.314 . . . . 0.0 112.139 -179.809 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.47 12.19 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 160.29 39.8 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.684 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.75 136.81 36.82 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.119 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -35.74 69.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.512 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -53.34 49.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 110.808 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.2 -46.21 78.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.644 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -68.08 -9.19 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.59 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.21 -20.48 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 t -91.79 -17.14 25.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 14' ' ' ASP . 66.3 m-20 -122.29 39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.33 -22.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' ASP . 1.1 m-20 -125.47 82.37 63.11 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.64 -42.64 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 C-N-CA 122.496 2.131 . . . . 0.0 112.439 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.33 -48.99 78.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 21' ' ' SER . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 29' ' ' LEU . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -59.66 -45.37 92.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -45.58 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -62.73 -43.01 99.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.36 -38.69 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -134.38 75.0 65.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--N 1.308 -1.592 0 C-N-CA 122.791 2.328 . . . . 0.0 112.165 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' C ' ' H ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 52.22 11.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 1' ' ' MET . 24.4 mm-40 -129.25 58.27 36.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.14 158.16 58.83 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.793 2.329 . . . . 0.0 112.059 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -5.27 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.673 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -32.67 69.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.487 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.25 -52.56 65.13 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.6 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.0 mm? -62.23 -36.85 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -63.18 -36.23 82.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 1.92 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 27.9 t -70.83 -10.36 59.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.97 0.15 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 15' ' ' PRO . 8.0 mt -107.45 -14.78 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.573 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' A' ' 13' ' ' LEU . 5.0 p30 -21.66 87.09 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 O-C-N 124.282 0.989 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' LEU . 31.2 Cg_exo -56.88 -19.52 32.12 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.903 2.402 . . . . 0.0 111.988 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.24 -42.42 73.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 21' ' ' SER . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' THR . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 38' ' ' SER . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.51 -37.76 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.87 -49.69 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -59.51 -19.19 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -46.75 11.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.659 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tp -76.98 -28.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -134.95 73.73 65.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.609 0 C-N-CA 122.785 2.323 . . . . 0.0 112.185 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 2' ' ' SER . 2.9 t -160.2 11.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.6 mp0 -133.78 74.66 69.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.69 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -53.74 157.35 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.766 2.311 . . . . 0.0 112.127 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.82 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.114 0.483 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -52.27 19.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.84 -38.47 70.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -70.7 -44.51 66.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 110.147 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' THR . 24.1 m -63.73 -16.42 61.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.057 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.0 -20.51 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.623 ' OG ' HD11 ' A' ' 18' ' ' LEU . 29.4 t -92.29 -6.07 51.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.78 15.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -141.65 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.56 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.44 82.61 22.43 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.376 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.95 -39.59 0.6 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 122.301 2.001 . . . . 0.0 112.326 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.94 -44.21 94.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' A' ' 11' ' ' SER . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.551 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' SER . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -41.32 84.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.01 -42.27 89.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.67 -36.12 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -77.06 -33.82 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.6 74.69 64.86 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.741 2.294 . . . . 0.0 112.092 -179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' GLU . 1.1 t 66.67 9.31 6.56 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.2 pt-20 -21.71 87.92 0.04 OUTLIER Pre-proline 0 C--N 1.343 0.313 0 O-C-N 124.416 1.073 . . . . 0.0 110.98 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 2' ' ' SER . 40.3 Cg_exo -54.74 131.41 45.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.76 2.306 . . . . 0.0 112.181 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -5.84 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 110.68 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PRO . 15.2 m -72.74 -25.35 61.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.49 -51.7 68.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -40.85 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -62.17 -22.45 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.97 -26.59 18.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.8 t -92.19 -6.37 50.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.93 14.37 0.53 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -136.79 6.57 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.619 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.63 82.55 3.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.354 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.13 -1.12 10.99 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 123.048 2.499 . . . . 0.0 112.421 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.79 -41.27 90.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.657 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' SER . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -38.13 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.38 -39.79 88.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.3 -44.36 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -47.98 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.46 -27.48 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.4 76.37 68.04 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.468 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--N 1.306 -1.695 0 C-N-CA 122.938 2.426 . . . . 0.0 112.058 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 57.89 37.37 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.646 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.9 pm0 -57.97 156.59 18.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.856 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.55 142.75 45.19 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.731 2.287 . . . . 0.0 112.038 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.08 -6.91 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -31.54 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.595 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -52.85 60.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.08 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -61.9 -9.81 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.27 8.53 25.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.72 -72.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.58 23.62 1.59 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.26 -27.76 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 83.71 13.34 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 121.241 0.544 . . . . 0.0 110.439 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.33 -34.68 89.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.833 2.355 . . . . 0.0 112.043 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.18 -54.14 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 25' ' ' VAL . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' SER . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' HD1' ' C ' ' A' ' 39' ' ' HIS . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.05 -41.3 87.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -56.33 -49.23 74.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.28 -39.6 87.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -65.39 -40.24 93.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -74.59 -33.14 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.741 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -140.99 70.9 28.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.304 -1.798 0 C-N-CA 122.808 2.338 . . . . 0.0 112.182 -179.679 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -152.11 23.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 1.7 mp0 -101.82 154.32 37.39 Favored Pre-proline 0 N--CA 1.454 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.715 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' SER . 32.9 Cg_endo -65.89 131.7 28.09 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.826 2.351 . . . . 0.0 112.134 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -3.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' PRO . 9.6 m -55.53 -42.66 74.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -52.2 -50.4 62.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.96 -32.35 69.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.948 0.404 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 m -65.16 -19.91 66.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 -23.62 12.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 13' ' ' LEU . 5.7 t -93.4 -2.33 54.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.175 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 10.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.956 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -88.05 -29.17 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -170.28 81.58 0.59 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.2 -9.83 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 123.136 2.557 . . . . 0.0 112.259 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -34.09 77.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.781 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' SER . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.57 -39.01 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -45.2 95.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.34 -44.63 94.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.88 -37.29 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -71.59 -32.93 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -145.35 76.69 13.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.069 0.462 . . . . 0.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.835 2.357 . . . . 0.0 112.059 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.29 8.13 5.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -77.96 153.65 80.26 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.493 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.97 134.78 33.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.724 2.283 . . . . 0.0 112.21 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -5.25 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -73.26 -26.1 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -43.75 91.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.67 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.89 -42.32 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.072 0.463 . . . . 0.0 110.641 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -58.68 -22.88 58.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 11.42 30.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.66 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -50.47 -67.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.796 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -144.16 21.13 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.33 37.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.805 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -53.49 161.3 1.55 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.92 -29.06 49.95 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.887 2.391 . . . . 0.0 111.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -53.15 61.16 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 23' ' ' ILE . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' HG23 ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -51.49 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -56.18 -39.5 72.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.466 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.01 -40.17 90.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -69.52 -37.11 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -67.18 -39.85 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -129.48 76.57 78.54 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--N 1.306 -1.675 0 C-N-CA 122.872 2.382 . . . . 0.0 112.044 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t 46.34 15.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' OE1' HD12 ' A' ' 7' ' ' LEU . 15.0 mt-10 -148.29 155.62 42.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.73 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.08 141.02 62.06 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.559 2.173 . . . . 0.0 112.099 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.36 -4.09 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -61.62 -35.43 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.67 -53.64 36.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.804 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.82 -36.8 75.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -65.73 -14.98 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.682 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.37 -33.01 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 13' ' ' LEU . 2.2 t -91.18 -1.58 57.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.17 1.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' PRO . 6.3 mt -86.61 -20.58 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 13' ' ' LEU . 7.8 t70 -23.25 88.48 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 124.19 0.931 . . . . 0.0 110.518 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 32.4 Cg_exo -54.25 -33.24 74.63 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.418 2.078 . . . . 0.0 112.495 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.57 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 18' ' ' LEU . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 27' ' ' ILE . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 21' ' ' SER . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 24' ' ' LEU . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -46.22 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.84 98.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -68.11 -26.07 65.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.66 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -74.09 -44.59 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.84 -36.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.7 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.86 75.11 67.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.906 2.404 . . . . 0.0 112.15 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.11 5.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.8 tt0 -169.76 54.81 0.24 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' SER . 37.3 Cg_endo -67.29 156.52 65.87 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.603 2.202 . . . . 0.0 112.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.19 -4.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.569 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' PRO . 16.2 m -50.47 -42.87 54.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.326 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -53.12 28.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.9 mm? -61.61 -9.78 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -99.77 -38.5 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.74 65.84 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.607 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -3.37 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.446 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.4 -3.87 24.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 15.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 163.24 7.54 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -44.67 -54.41 4.15 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.699 2.266 . . . . 0.0 112.259 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.5 mm? -56.82 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.653 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -42.88 99.92 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -61.29 -44.21 97.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -48.73 -47.23 41.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.7 mp -81.31 -28.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -131.66 73.7 78.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.122 0.487 . . . . 0.0 110.624 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.793 2.329 . . . . 0.0 112.285 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.06 0.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.13 61.53 1.87 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.84 130.52 14.64 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.687 2.258 . . . . 0.0 112.001 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.31 -9.04 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.645 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -29.5 69.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.618 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.63 -53.36 58.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.85 -35.34 79.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -62.27 -23.74 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.42 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -101.67 -20.27 15.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.1 t -91.18 -3.6 56.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.741 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 46.2 t0 -66.44 1.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.753 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -116.68 1.84 12.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 13' ' ' LEU . 23.2 t0 -169.0 82.68 0.68 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.414 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 -11.76 12.15 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.956 2.438 . . . . 0.0 112.223 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.41 -29.07 70.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.67 87.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -57.58 -41.98 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -25.15 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -70.05 -38.58 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.57 -56.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -109.27 150.65 41.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--N 1.311 -1.414 0 C-N-CA 122.898 2.399 . . . . 0.0 112.491 179.619 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 25.78 2.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 pt-20 -138.86 55.34 7.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.4 Cg_endo -68.65 130.81 21.45 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.316 . . . . 0.0 112.159 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.71 -4.85 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -30.06 64.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -49.0 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 1.2 mp -75.36 -45.41 39.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.554 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -57.13 -17.4 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.45 -47.07 7.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 13' ' ' LEU . 10.1 t -61.52 -13.52 21.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -64.65 -0.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 11' ' ' SER . 2.2 pp -60.42 -27.14 67.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.11 45.37 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.06 -42.1 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.838 2.359 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -47.76 78.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.653 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 21' ' ' SER . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -55.59 -42.77 75.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.16 -45.6 91.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.83 -21.5 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -75.07 -43.57 52.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.48 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' CD1' ' C ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.08 152.3 41.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 122.865 2.377 . . . . 0.0 112.112 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 tpp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -85.95 -3.17 58.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -135.59 59.3 29.84 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 121.105 0.479 . . . . 0.0 110.724 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 131.32 16.19 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.627 2.218 . . . . 0.0 112.119 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -4.24 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.75 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -30.61 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.458 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -42.51 63.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.6 mp -81.72 -51.22 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -54.85 -9.97 0.41 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.659 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 12' ' ' ASP . . . -98.99 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -61.3 -4.34 1.18 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 10' ' ' ALA . 22.4 t70 -60.91 -13.71 17.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.844 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.49 -27.57 49.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.071 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.41 82.53 68.06 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.7 -45.71 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.726 2.284 . . . . 0.0 112.149 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.84 -43.77 77.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 17' ' ' ILE . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 21' ' ' SER . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -58.63 -48.03 82.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.4 -50.14 68.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -61.28 -38.69 87.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 47' ' ' ILE . 82.0 mt -80.21 -10.19 12.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.34 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -140.93 66.6 26.31 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.306 -1.665 0 C-N-CA 122.809 2.34 . . . . 0.0 112.29 -179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 21' ' ' SER . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.717 0.294 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' SER . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' LEU . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.673 0.273 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' SER . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.725 0.297 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 21' ' ' SER . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.825 0.345 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' ILE . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 21' ' ' SER . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 38' ' ' SER . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.827 0.346 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' HG22 ' A' ' 23' ' ' ILE . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' SER . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.782 0.325 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 29' ' ' LEU . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.761 0.315 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 21' ' ' SER . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.961 0.41 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 21' ' ' SER . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 29' ' ' LEU . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.775 0.322 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 21' ' ' SER . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' THR . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 38' ' ' SER . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.724 0.297 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' SER . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.824 0.345 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' SER . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.759 0.314 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 25' ' ' VAL . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' SER . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.417 ' C ' ' HD1' ' A' ' 39' ' ' HIS . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' SER . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 23' ' ' ILE . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' HG23 ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' O ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.723 0.297 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 18' ' ' LEU . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 27' ' ' ILE . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 21' ' ' SER . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 24' ' ' LEU . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 39' ' ' HIS . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 35' ' ' ALA . 9.9 m-70 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.5 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.69 0.281 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 21' ' ' SER . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.763 0.316 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 17' ' ' ILE . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 21' ' ' SER . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.95 -9.7 6.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.17 162.87 18.77 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' SER . 38.2 Cg_endo -70.85 138.07 33.59 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.613 2.209 . . . . 0.0 111.989 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.04 -6.0 0.75 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.601 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -74.51 -35.26 63.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.669 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -58.84 -33.88 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mp -85.53 -43.42 13.55 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.805 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 9' ' ' THR . 48.3 m -65.26 -11.33 40.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.752 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.31 11.07 27.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -65.94 -1.76 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -103.78 23.26 13.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.703 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.51 -35.42 53.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.715 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -171.65 82.22 0.49 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.238 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.69 -29.08 3.78 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.581 2.188 . . . . 0.0 112.147 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -51.49 67.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.616 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 2.4 tt -68.44 -36.56 75.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.328 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 1.2 mt -61.89 -42.44 99.07 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.482 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -59.77 -50.85 72.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.94 -36.86 82.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -67.8 -51.86 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.516 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.2 -39.9 60.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.93 -59.08 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.436 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -57.43 -36.27 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.5 -179.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 21' ' ' SER . 49.9 t -63.44 -53.21 48.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.671 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.39 -41.14 98.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.618 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -66.49 -51.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.649 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.8 p -54.73 -39.65 68.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.46 -47.94 79.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.28 -45.06 94.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -43.67 76.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.394 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.8 m -61.02 -49.24 78.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.553 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -54.65 -46.64 73.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -50.25 74.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.77 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.139 0.495 . . . . 0.0 110.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -49.62 63.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.49 -45.07 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 42' ' ' THR . 3.1 t -56.46 -45.46 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.547 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.48 -44.05 92.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.644 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -62.48 -39.05 92.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -64.56 -42.59 95.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 38' ' ' SER . 0.2 OUTLIER -62.88 -45.69 91.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.94 -45.9 85.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -56.23 -46.83 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -63.85 -45.21 90.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -64.64 -29.75 70.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -73.68 -43.08 54.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -139.7 74.31 33.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.619 0 C-N-CA 122.796 2.331 . . . . 0.0 112.332 -179.788 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.11 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.51 60.74 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.755 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -73.58 131.95 16.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.864 2.376 . . . . 0.0 112.332 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.84 -4.66 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -35.91 79.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -53.6 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.74 -42.1 74.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -69.35 -6.87 32.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.593 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.67 -31.03 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.91 -5.72 52.71 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.961 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -131.11 40.77 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -27.21 64.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.26 82.9 39.97 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.331 0.586 . . . . 0.0 110.263 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -80.16 -38.57 0.32 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.769 2.313 . . . . 0.0 111.998 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.1 -41.93 98.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.4 mt -72.55 -38.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.15 -41.39 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.68 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.4 m -65.41 -52.24 54.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.343 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.43 -39.06 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.504 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -68.62 -49.01 62.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.61 -42.23 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.601 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -60.1 -48.87 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.326 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.9 mt -66.91 -32.37 73.58 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 -179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' SER . 55.9 t -67.44 -50.35 62.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -44.05 95.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.97 -49.33 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -53.62 -43.93 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.59 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.6 mt -60.91 -52.11 66.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.617 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -58.89 -43.26 90.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -56.21 -43.66 78.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.641 -179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.4 m -67.78 -40.9 83.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' LEU . 59.0 t -59.47 -46.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.527 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.61 -50.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.78 71.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 0.0 110.274 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.73 -49.83 55.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.748 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.69 -34.83 79.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.503 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 p -64.63 -46.57 82.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -61.48 -37.48 83.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.345 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -69.33 -47.54 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -57.15 -40.13 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.623 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -46.99 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -40.71 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.56 -45.58 93.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.574 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.11 -41.53 90.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.554 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -55.62 -47.48 76.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.574 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.1 mt -67.7 -38.51 80.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -133.7 74.25 70.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--N 1.304 -1.781 0 C-N-CA 122.84 2.36 . . . . 0.0 112.015 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -141.11 0.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.54 60.8 14.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.44 149.04 43.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.82 2.347 . . . . 0.0 112.165 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.69 -10.79 39.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -64.72 -25.27 67.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.492 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.94 -51.84 66.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.598 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -74.62 -36.34 62.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -55.77 -31.88 62.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.72 -44.48 10.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.112 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -68.8 -6.71 28.4 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.72 27.4 9.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -54.64 -35.46 63.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -172.51 82.65 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.288 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -80.58 -3.49 12.48 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.821 2.347 . . . . 0.0 112.148 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.39 -34.26 77.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.679 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.0 mt -67.29 -43.06 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.51 -34.9 79.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.513 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -62.02 -49.62 75.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.465 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.95 -41.97 86.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.649 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.8 p -59.13 -47.24 86.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.94 -47.04 78.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.37 -48.18 80.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.259 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 21' ' ' SER . 52.9 t -66.28 -51.68 56.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.261 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.24 -50.39 71.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.408 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.6 -52.91 55.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -51.59 -44.84 62.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -61.14 -47.96 83.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.578 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.68 -41.92 82.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.402 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.86 -44.83 96.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -58.46 -46.61 86.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.32 -47.5 92.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.694 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.3 mt -59.65 -53.18 61.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.26 -31.73 65.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.156 0.503 . . . . 0.0 110.183 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -49.61 52.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.829 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -37.32 86.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -44.92 95.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -58.66 -43.36 89.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -68.05 -36.0 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -65.73 -46.08 80.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.618 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 p -61.42 -46.71 88.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.94 -44.88 87.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.544 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -62.52 -39.42 93.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.04 -39.81 94.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.667 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -64.05 -41.16 97.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.99 -33.92 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -136.2 68.59 62.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.468 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.821 2.347 . . . . 0.0 112.218 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -152.56 10.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -147.91 63.15 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_endo -74.47 149.85 40.03 Favored 'Trans proline' 0 C--N 1.307 -1.61 0 C-N-CA 122.791 2.327 . . . . 0.0 112.022 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.12 -7.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.055 0.455 . . . . 0.0 110.74 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 4' ' ' PRO . 2.9 t -58.72 -34.56 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.419 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -46.72 68.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.585 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.1 mm? -54.45 -35.1 62.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 110.66 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -77.06 -42.41 38.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.724 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -12.24 57.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.591 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -5.59 47.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.79 -9.1 47.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.687 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.7 mt -93.31 -20.55 20.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.516 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -160.34 82.39 2.19 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.467 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.25 -10.37 8.27 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.015 2.477 . . . . 0.0 112.152 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -60.53 -31.25 70.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.617 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -73.31 -38.31 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 -36.33 82.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -68.04 -48.73 64.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.08 -36.53 84.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.6 m -67.2 -51.35 54.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -55.69 -34.64 65.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.614 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.16 -61.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.87 -27.83 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.263 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 21' ' ' SER . 44.0 t -72.11 -53.01 21.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.445 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.52 -42.72 97.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.563 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -66.74 -49.61 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 t -55.21 -42.27 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.49 -49.9 75.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.07 -37.47 87.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.67 -44.73 96.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.459 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -41.9 96.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.391 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.9 t -57.81 -44.83 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.11 -50.07 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.65 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.94 65.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.181 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -52.49 38.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.79 -34.88 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -64.46 -47.78 77.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.47 -42.18 82.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -65.72 -40.08 91.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -61.68 -45.0 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.469 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -41.82 98.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.616 HE21 ' CA ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -63.13 -42.65 99.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.488 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -40.4 91.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -65.26 -32.72 74.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.86 -20.75 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.449 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -146.64 68.08 11.74 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.704 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 C--N 1.306 -1.678 0 C-N-CA 122.85 2.367 . . . . 0.0 112.183 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.541 ' O ' ' C ' ' A' ' 3' ' ' GLU . 4.8 p -86.95 -1.39 57.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' C ' ' O ' ' A' ' 2' ' ' SER . 1.6 tt0 19.07 72.27 0.22 Allowed Pre-proline 0 N--CA 1.464 0.229 0 O-C-N 124.272 0.983 . . . . 0.0 110.962 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -54.88 155.46 18.12 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.841 2.361 . . . . 0.0 111.957 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 9' ' ' THR . . . -65.84 -4.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.083 0.468 . . . . 0.0 110.617 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -63.84 -34.31 77.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.459 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -49.27 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.55 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.04 -38.78 92.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -79.2 -14.6 58.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 -0.59 25.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.713 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.68 -2.07 16.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.625 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -96.94 10.79 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -46.39 -38.22 8.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -174.43 83.39 0.35 Allowed Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.259 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' O ' ' OG1' ' A' ' 19' ' ' THR . 32.1 Cg_exo -57.23 -30.73 88.45 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.832 2.355 . . . . 0.0 112.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.4 -53.93 50.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.963 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.57 -33.22 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.532 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.25 -34.62 78.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.523 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -66.01 -50.84 62.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.399 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.15 -41.53 92.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.2 t -65.9 -50.53 64.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -40.05 72.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.1 mt -60.45 -62.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.564 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 23' ' ' ILE . 7.9 mt -55.11 -30.77 60.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.609 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 21' ' ' SER . 43.2 t -69.74 -52.84 28.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.65 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mm -68.09 -51.35 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.623 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 p -56.38 -43.93 79.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.4 -42.23 95.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.04 -47.1 84.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.344 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -57.44 -42.95 83.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.738 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.44 94.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.04 -42.66 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.497 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.48 -51.84 57.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.631 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -32.23 68.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 110.147 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.85 -48.8 65.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.668 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.91 -38.14 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -60.74 -45.98 92.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -61.53 -46.38 90.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -60.43 -41.78 94.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -62.7 -46.06 89.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 38' ' ' SER . 71.1 p -59.88 -44.85 93.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.37 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -57.1 -41.14 78.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -52.16 66.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.427 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -57.48 -51.2 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' CD1' HD12 ' A' ' 43' ' ' LEU . 22.9 mt -59.54 -45.04 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.83 159.4 69.69 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.622 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--N 1.307 -1.653 0 C-N-CA 122.798 2.332 . . . . 0.0 112.016 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -170.58 15.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.564 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 21.9 tt0 -146.86 54.05 1.9 Allowed Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 27.8 Cg_endo -63.23 134.75 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.812 2.341 . . . . 0.0 112.164 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.54 -4.61 1.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.566 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' PRO . 4.3 p -73.12 -31.93 64.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.87 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -51.29 62.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.964 0.411 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -70.37 -41.26 73.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.407 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -68.87 -3.72 13.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.641 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.0 -37.69 6.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.103 0.477 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t -88.54 -2.22 58.48 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.739 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -4.3 3.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.46 24.97 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.767 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -170.28 82.25 0.58 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.095 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.26 -3.45 12.11 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.768 2.312 . . . . 0.0 112.386 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.41 -36.12 82.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.475 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -68.79 -35.48 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.508 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.9 -41.48 95.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.698 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -62.25 -47.49 84.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.554 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.74 -36.55 83.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.368 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.1 t -69.94 -53.52 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.441 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.69 -34.38 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.2 mt -64.1 -62.17 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.752 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' N ' HG22 ' A' ' 23' ' ' ILE . 9.7 mt -56.1 -28.87 59.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.248 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 21' ' ' SER . 42.2 t -71.09 -53.18 22.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.625 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.6 -40.01 71.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.5 mt -74.37 -51.11 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -52.77 -39.8 62.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.677 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -48.78 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.727 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -39.93 94.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.583 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.73 -43.73 94.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.572 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.2 m -69.28 -41.23 77.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.48 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -56.99 -42.25 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.3 mt -65.64 -50.93 63.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.121 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.35 -34.35 68.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.137 0.494 . . . . 0.0 109.974 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.03 -44.01 61.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -42.19 95.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 t -60.02 -44.85 94.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.351 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.2 -36.66 84.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.86 -47.55 74.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -58.14 -40.74 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -64.97 -48.96 72.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.705 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -47.74 78.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.56 -44.91 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -58.71 -49.26 78.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.537 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -58.08 -38.37 76.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -73.58 -37.94 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -66.84 159.45 75.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo . . . . . 0 C--N 1.31 -1.493 0 C-N-CA 122.839 2.359 . . . . 0.0 112.156 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.53 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.713 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 44.1 mm-40 -128.54 54.76 14.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.622 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 31.0 Cg_endo -65.02 141.23 69.41 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 112.049 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.96 -8.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.806 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -55.36 -34.58 64.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.76 -53.78 12.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.691 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.2 mm? -53.37 -29.38 34.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -79.44 -56.25 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.643 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -14.18 1.39 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.69 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t -74.2 -6.49 48.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.48 -35.74 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.986 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.41 -21.97 57.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.637 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.02 82.07 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.469 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -81.56 -4.75 12.37 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.834 2.356 . . . . 0.0 112.213 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -35.97 79.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.473 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.58 -42.29 94.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' N ' HD22 ' A' ' 18' ' ' LEU . 4.1 mm? -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.03 87.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.94 -34.99 78.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.798 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.683 ' O ' HG23 ' A' ' 25' ' ' VAL . 90.1 p -69.91 -48.28 59.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.584 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.94 -45.58 67.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.2 mp -58.64 -54.64 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.429 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 5.1 mt -59.57 -35.37 74.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.344 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -66.06 -51.05 64.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.431 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -39.72 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.702 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.7 mt -69.68 -48.71 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.332 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -55.2 -45.98 75.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.9 tp -61.05 -50.85 71.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.05 -45.9 79.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.56 -43.9 84.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -41.75 75.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.471 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 29' ' ' LEU . 85.6 t -57.63 -38.64 65.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.443 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.07 -52.05 46.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.776 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.03 64.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.306 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.67 -52.56 36.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.69 -42.27 99.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.08 -45.21 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -61.76 -45.34 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -66.56 -34.56 78.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.07 -46.85 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.694 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -60.92 -42.05 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.465 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -42.47 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -37.59 85.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.81 -39.99 87.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.34 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -47.48 84.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.396 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.37 -42.55 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.29 158.89 76.22 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.617 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo . . . . . 0 C--N 1.307 -1.622 0 C-N-CA 122.798 2.332 . . . . 0.0 112.055 179.619 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.38 21.9 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 33.4 mm-40 -136.64 55.86 12.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.643 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.3 Cg_endo -66.55 153.49 77.82 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.744 2.296 . . . . 0.0 111.92 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -5.58 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 110.783 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -70.01 -32.68 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.39 -47.71 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.429 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.03 -39.4 55.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -59.06 -14.96 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.35 -52.42 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.495 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.72 -12.13 32.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.787 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 12' ' ' ASP . 1.3 m-20 -122.03 37.47 4.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.508 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -60.46 -17.96 48.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.642 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.5 158.04 33.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.555 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.71 -46.35 6.99 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.76 -40.67 76.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.46 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.38 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.63 -41.45 81.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.568 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -52.61 62.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.279 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.04 -42.19 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.02 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.786 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.2 t -62.26 -51.1 69.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.95 -42.53 62.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mt -58.07 -57.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.88 -23.84 63.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 21' ' ' SER . 92.5 t -79.14 -52.69 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.757 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.25 -46.19 89.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -65.38 -44.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.343 -179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.513 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 39.0 m -57.73 -41.41 81.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.625 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.04 -50.0 63.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 tp -54.21 -48.13 71.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.06 -51.81 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.72 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 m -53.81 -52.66 59.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.289 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.8 t -54.87 -45.27 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.665 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.63 -51.67 68.43 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.785 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.14 -33.04 70.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.024 0.44 . . . . 0.0 109.911 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.09 -45.47 66.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.729 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.94 -42.68 99.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.416 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.1 p -60.24 -47.11 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -47.67 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.635 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -58.88 -42.03 88.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -62.19 -46.46 88.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.402 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.1 m -59.2 -45.21 91.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.08 -46.59 75.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.537 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -58.54 -40.23 82.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.432 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.3 -46.75 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.623 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -53.44 -42.34 67.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -77.96 -41.76 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.844 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -130.8 76.33 77.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 110.229 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.772 2.314 . . . . 0.0 112.139 -179.809 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.47 12.19 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.14 160.29 39.8 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.684 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -68.75 136.81 36.82 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.119 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.81 -8.08 26.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.84 -35.74 69.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.512 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -53.34 49.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 110.808 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.2 -46.21 78.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.644 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.1 m -68.08 -9.19 44.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.59 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.21 -20.48 13.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.6 t -91.79 -17.14 25.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.128 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 14' ' ' ASP . 66.3 m-20 -122.29 39.7 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.33 -22.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 12' ' ' ASP . 1.1 m-20 -125.47 82.37 63.11 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -79.64 -42.64 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 C-N-CA 122.496 2.131 . . . . 0.0 112.439 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.33 -48.99 78.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.777 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.7 mt -68.19 -35.99 73.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.594 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.84 -42.15 97.22 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.026 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -61.68 -48.66 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.609 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.67 -35.63 80.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 25' ' ' VAL . 8.5 t -66.7 -50.4 62.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.763 HD13 ' CD1' ' A' ' 18' ' ' LEU . 1.2 mp -52.77 -46.66 67.66 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.757 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -58.04 -54.8 27.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.405 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.0 mt -58.58 -37.72 76.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.657 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 21' ' ' SER . 70.0 t -65.24 -52.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.54 -46.9 88.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -61.22 -52.23 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.366 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.5 m -52.65 -43.09 65.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.607 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.623 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.4 mt -61.0 -45.58 94.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tp -62.85 -44.53 95.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.675 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt -57.12 -43.46 82.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -44.06 84.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.264 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 29' ' ' LEU . 83.3 t -56.14 -46.29 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.08 -51.24 70.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -32.79 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -70.55 -45.75 64.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.739 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -66.82 -39.73 87.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.35 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -58.69 -44.66 90.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -47.08 79.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.17 -40.44 81.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -63.87 -43.82 94.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -54.52 -48.97 71.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -59.66 -45.37 92.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -45.58 91.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -62.73 -43.01 99.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.644 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -67.36 -38.69 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.625 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -134.38 75.0 65.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--N 1.308 -1.592 0 C-N-CA 122.791 2.328 . . . . 0.0 112.165 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' C ' ' H ' ' A' ' 3' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 52.22 11.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.715 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 1' ' ' MET . 24.4 mm-40 -129.25 58.27 36.13 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.14 158.16 58.83 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.793 2.329 . . . . 0.0 112.059 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -5.27 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.673 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.77 -32.67 69.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.487 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.25 -52.56 65.13 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.6 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 8' ' ' LEU . 4.0 mm? -62.23 -36.85 83.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.098 0.475 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -63.18 -36.23 82.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.746 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 1.92 0.53 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.825 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' THR . 27.9 t -70.83 -10.36 59.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.822 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.97 0.15 4.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 15' ' ' PRO . 8.0 mt -107.45 -14.78 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.573 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' A' ' 13' ' ' LEU . 5.0 p30 -21.66 87.09 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 O-C-N 124.282 0.989 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 13' ' ' LEU . 31.2 Cg_exo -56.88 -19.52 32.12 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.903 2.402 . . . . 0.0 111.988 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.24 -42.42 73.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.3 mm -63.05 -40.5 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.58 -36.65 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.713 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.92 -49.71 67.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.73 -41.75 98.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.628 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.0 m -64.86 -51.33 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.91 -38.74 62.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.578 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -64.26 -61.91 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.419 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.2 mt -54.34 -27.28 34.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.46 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 21' ' ' SER . 47.6 t -75.03 -53.18 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.592 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.45 -38.75 92.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.453 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.77 -50.58 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.2 p -54.67 -41.4 70.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.57 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.92 -48.12 77.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.597 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.07 -45.55 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -60.56 -37.53 81.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 m -61.58 -47.21 86.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.02 -38.85 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.34 -51.99 60.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.756 0.312 . . . . 0.0 110.62 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.3 -32.28 66.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.006 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -51.26 41.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.793 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.16 -38.86 87.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 42' ' ' THR . 1.1 p -63.36 -44.99 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -59.91 -40.51 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -68.1 -46.25 71.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.571 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -40.17 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 38' ' ' SER . 73.1 p -65.79 -46.15 79.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.51 -37.76 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -70.87 -49.69 43.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.658 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -59.51 -19.19 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.536 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.33 -46.75 11.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.659 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tp -76.98 -28.63 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.677 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -134.95 73.73 65.38 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.672 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--N 1.307 -1.609 0 C-N-CA 122.785 2.323 . . . . 0.0 112.185 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 2' ' ' SER . 2.9 t -160.2 11.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.515 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.6 mp0 -133.78 74.66 69.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.69 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -53.74 157.35 10.2 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.766 2.311 . . . . 0.0 112.127 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -23.82 67.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.114 0.483 . . . . 0.0 110.616 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -52.27 19.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.84 -38.47 70.1 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 120.93 0.395 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -70.7 -44.51 66.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.966 0.412 . . . . 0.0 110.147 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 9' ' ' THR . 24.1 m -63.73 -16.42 61.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.057 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.0 -20.51 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.579 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.623 ' OG ' HD11 ' A' ' 18' ' ' LEU . 29.4 t -92.29 -6.07 51.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.78 15.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.503 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -141.65 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.56 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -138.44 82.61 22.43 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.376 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -76.95 -39.59 0.6 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 122.301 2.001 . . . . 0.0 112.326 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.2 mt -59.94 -44.21 94.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.9 mt -69.22 -40.64 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.482 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' A' ' 11' ' ' SER . 5.1 mt -56.98 -42.66 80.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 m -62.14 -51.42 67.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.86 -41.56 91.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.586 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.66 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 p -65.42 -50.57 64.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.496 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mt -52.56 -38.21 59.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.83 -61.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.573 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -58.89 -34.9 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' SER . 78.0 t -62.99 -52.32 60.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.28 -48.5 81.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -60.18 -53.07 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.4 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -53.78 -41.98 67.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.2 mp -60.8 -45.32 94.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -36.73 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.67 -43.69 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -69.02 -41.09 78.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.536 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' LEU . 42.7 t -55.61 -44.38 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.798 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.12 -50.73 69.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.996 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.87 69.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.059 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -52.82 34.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.505 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.8 -41.64 91.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -47.5 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.671 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -57.73 -39.99 78.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.513 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.86 -42.02 81.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.636 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -39.44 91.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.452 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.27 -45.88 89.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.567 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -41.32 84.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -66.01 -42.27 89.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.607 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -62.7 -34.35 76.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -72.67 -36.12 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 55.2 mt -77.06 -33.82 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.682 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -134.6 74.69 64.86 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.451 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.741 2.294 . . . . 0.0 112.092 -179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 3' ' ' GLU . 1.1 t 66.67 9.31 6.56 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.769 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.2 pt-20 -21.71 87.92 0.04 OUTLIER Pre-proline 0 C--N 1.343 0.313 0 O-C-N 124.416 1.073 . . . . 0.0 110.98 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 2' ' ' SER . 40.3 Cg_exo -54.74 131.41 45.79 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.76 2.306 . . . . 0.0 112.181 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.07 -5.84 0.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.42 . . . . 0.0 110.68 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 4' ' ' PRO . 15.2 m -72.74 -25.35 61.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.49 -51.7 68.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.905 0.383 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -40.85 75.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 m -62.17 -22.45 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.708 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.97 -26.59 18.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.8 t -92.19 -6.37 50.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.93 14.37 0.53 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -136.79 6.57 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.619 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.63 82.55 3.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.354 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.13 -1.12 10.99 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 123.048 2.499 . . . . 0.0 112.421 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.79 -41.27 90.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.657 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 11.6 tt -62.77 -40.1 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.444 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.2 mt -60.29 -41.14 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.709 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.7 m -65.45 -46.99 77.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.76 -41.87 96.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.661 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -49.99 59.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.5 mt -52.11 -38.96 59.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.781 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.9 mt -63.06 -61.43 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.742 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.3 mt -59.24 -31.84 69.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.676 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 t -64.97 -52.57 52.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.505 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.88 -46.4 87.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.714 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.61 -51.04 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.505 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -55.26 -44.37 75.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.4 mp -58.06 -48.05 81.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.638 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.22 -44.07 97.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.573 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -57.32 -40.24 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.431 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.6 -45.23 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.4 t -56.17 -44.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.16 -51.48 69.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.765 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.01 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.047 0.451 . . . . 0.0 110.097 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -43.25 69.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.605 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.67 -41.61 83.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -58.18 -46.33 85.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.584 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -43.88 96.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.521 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -62.29 -45.38 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -46.63 89.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.74 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 38' ' ' SER . 76.5 p -60.51 -47.12 87.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.99 -38.13 84.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.515 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.464 ' N ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER -60.38 -39.79 88.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -44.36 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.631 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -47.98 82.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.477 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.46 -27.48 42.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.674 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.4 76.37 68.04 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.468 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 C--N 1.306 -1.695 0 C-N-CA 122.938 2.426 . . . . 0.0 112.058 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 57.89 37.37 26.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.646 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 1.9 pm0 -57.97 156.59 18.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.856 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -70.55 142.75 45.19 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.731 2.287 . . . . 0.0 112.038 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.08 -6.91 14.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -31.54 71.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.595 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.26 -52.85 60.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.08 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -61.9 -9.81 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.735 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.27 8.53 25.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.72 -72.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.58 23.62 1.59 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.26 -27.76 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.3 83.71 13.34 Favored Pre-proline 0 C--O 1.238 0.478 0 CA-C-O 121.241 0.544 . . . . 0.0 110.439 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.33 -34.68 89.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.833 2.355 . . . . 0.0 112.043 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.18 -54.14 50.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.2 mt -58.53 -37.91 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.2 -42.92 99.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 m -61.39 -52.76 63.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.653 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.49 -39.35 93.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 25' ' ' VAL . 14.1 t -63.26 -51.07 67.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.527 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.87 -34.79 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 24' ' ' LEU . 6.7 mt -64.09 -62.12 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.547 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.5 mt -58.13 -35.16 71.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.536 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 21' ' ' SER . 53.8 t -61.43 -52.36 62.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -43.62 95.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.4 mt -59.33 -52.57 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.528 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -60.02 -37.29 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.68 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.7 tp -67.52 -47.44 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.64 -37.37 73.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.15 -47.18 74.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -65.13 -37.95 89.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 29' ' ' LEU . 74.6 t -57.97 -49.63 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.526 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.14 -51.13 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.868 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.19 63.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -50.27 51.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.776 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.08 -42.01 98.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.5 m -62.35 -46.18 89.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.733 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' C ' ' HD1' ' A' ' 39' ' ' HIS . 4.8 t-80 -56.33 -50.74 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -62.68 -32.72 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -67.13 -43.78 81.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -60.19 -43.82 95.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.306 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.05 -41.3 87.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.432 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -56.33 -49.23 74.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.28 -39.6 87.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -65.39 -40.24 93.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mm -74.59 -33.14 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.741 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 30.4 t90 -140.99 70.9 28.89 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--N 1.304 -1.798 0 C-N-CA 122.808 2.338 . . . . 0.0 112.182 -179.679 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -152.11 23.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.487 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 1.7 mp0 -101.82 154.32 37.39 Favored Pre-proline 0 N--CA 1.454 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.715 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' SER . 32.9 Cg_endo -65.89 131.7 28.09 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.826 2.351 . . . . 0.0 112.134 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.23 -3.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' PRO . 9.6 m -55.53 -42.66 74.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -52.2 -50.4 62.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.778 0.323 . . . . 0.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.96 -32.35 69.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.948 0.404 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 m -65.16 -19.91 66.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 -23.62 12.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.581 ' C ' ' H ' ' A' ' 13' ' ' LEU . 5.7 t -93.4 -2.33 54.79 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.175 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.6 10.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.956 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.581 ' H ' ' C ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -88.05 -29.17 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.366 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -170.28 81.58 0.59 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.008 0.432 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.2 -9.83 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 123.136 2.557 . . . . 0.0 112.259 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -34.09 77.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.781 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 1.1 tp -70.21 -37.41 71.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 6.5 mt -66.56 -42.86 86.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -60.98 -46.84 89.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.5 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.701 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 m -67.51 -48.32 67.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -55.93 -44.63 78.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 24' ' ' LEU . 9.8 mt -54.96 -61.76 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.728 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.0 tt -56.71 -35.94 69.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.548 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 21' ' ' SER . 58.9 t -64.73 -47.47 88.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.89 -41.64 97.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.698 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.85 -47.65 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.54 -45.38 73.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -47.05 86.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.03 -42.64 97.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.617 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -58.75 -40.58 84.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.404 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -63.97 -48.77 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -54.88 -45.06 75.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.02 -50.68 72.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.693 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.97 -32.44 73.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.159 0.504 . . . . 0.0 110.203 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -51.5 27.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -56.97 -44.73 82.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -56.48 -47.52 79.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.47 78.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -58.93 -40.16 83.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.54 -36.36 82.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.2 m -59.59 -47.53 85.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.57 -39.01 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.482 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -45.2 95.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.34 -44.63 94.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.88 -37.29 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.546 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mm -71.59 -32.93 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.0 m95 -145.35 76.69 13.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.069 0.462 . . . . 0.0 110.457 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.835 2.357 . . . . 0.0 112.059 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.29 8.13 5.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.368 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -77.96 153.65 80.26 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.493 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.97 134.78 33.01 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.724 2.283 . . . . 0.0 112.21 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.33 -5.25 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -73.26 -26.1 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.08 -43.75 91.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.67 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.89 -42.32 40.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.072 0.463 . . . . 0.0 110.641 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -58.68 -22.88 58.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 11.42 30.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.66 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.7 t -50.47 -67.33 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.796 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -144.16 21.13 1.75 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.996 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.33 37.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.805 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -53.49 161.3 1.55 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.625 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.92 -29.06 49.95 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.887 2.391 . . . . 0.0 111.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.09 -53.15 61.16 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.5 mt -65.61 -37.28 79.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.36 -45.09 88.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -60.38 -50.77 72.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.87 -36.73 84.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.721 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.8 p -68.02 -47.03 69.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -45.76 63.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.4 mp -61.83 -53.18 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.613 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 23' ' ' ILE . 1.2 mt -56.58 -31.5 64.29 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -78.02 -46.49 26.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.46 -48.61 81.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 28' ' ' SER . 12.2 tt -67.07 -44.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.419 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.56 ' N ' HG23 ' A' ' 27' ' ' ILE . 9.3 m -52.86 -46.36 67.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -59.28 -48.49 81.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.05 -42.34 99.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -43.4 78.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.641 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.4 m -60.68 -51.1 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.49 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.5 t -55.98 -44.55 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.81 -50.51 73.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.636 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.68 -31.61 69.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.87 -49.25 66.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.747 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -64.92 -42.05 95.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.484 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -55.42 -47.33 76.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.454 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' O ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -66.72 -41.64 87.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.473 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -61.75 -42.17 98.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.522 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -47.28 81.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.465 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.97 70.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.92 -51.49 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.503 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.18 -39.5 72.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.01 -40.17 90.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -69.52 -37.11 77.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -67.18 -39.85 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.706 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -129.48 76.57 78.54 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--N 1.306 -1.675 0 C-N-CA 122.872 2.382 . . . . 0.0 112.044 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t 46.34 15.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.46 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' OE1' HD12 ' A' ' 7' ' ' LEU . 15.0 mt-10 -148.29 155.62 42.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.73 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.08 141.02 62.06 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.559 2.173 . . . . 0.0 112.099 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.36 -4.09 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -61.62 -35.43 77.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD12 ' OE1' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -51.67 -53.64 36.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.804 -179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.82 -36.8 75.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.549 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -65.73 -14.98 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.682 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.37 -33.01 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 13' ' ' LEU . 2.2 t -91.18 -1.58 57.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -62.17 1.09 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' PRO . 6.3 mt -86.61 -20.58 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 13' ' ' LEU . 7.8 t70 -23.25 88.48 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 124.19 0.931 . . . . 0.0 110.518 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 32.4 Cg_exo -54.25 -33.24 74.63 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.418 2.078 . . . . 0.0 112.495 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -53.57 55.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.58 -34.07 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.371 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' CD2' HD13 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.68 -48.49 81.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.2 m -57.96 -48.84 78.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.474 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.13 -41.48 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.508 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.4 t -63.88 -53.99 41.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.411 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 18' ' ' LEU . 2.1 mp -55.45 -39.09 69.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.519 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -61.83 -61.38 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 27' ' ' ILE . 8.2 mt -54.63 -26.29 32.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.787 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 21' ' ' SER . 70.2 t -78.25 -51.6 17.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -53.31 59.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 24' ' ' LEU . 2.1 pp -61.43 -47.21 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 27' ' ' ILE . 31.1 p -55.74 -42.37 75.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.81 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.1 tp -63.72 -46.85 83.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.688 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.84 -44.78 95.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.584 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.75 -44.62 81.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.457 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -63.39 -46.24 87.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' LEU . 75.9 t -54.41 -45.83 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -50.87 72.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 39' ' ' HIS . . . -61.7 -31.88 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.688 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -47.54 69.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.734 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -67.54 -44.09 79.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.539 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 35' ' ' ALA . 9.9 m-70 -64.95 -47.9 75.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.592 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -58.05 -36.6 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.522 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -66.34 -44.58 82.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.43 80.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.391 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -46.22 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.84 98.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -68.11 -26.07 65.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.66 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -74.09 -44.59 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.84 -36.97 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.7 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -133.86 75.11 67.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.466 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.906 2.404 . . . . 0.0 112.15 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.11 5.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.8 tt0 -169.76 54.81 0.24 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' SER . 37.3 Cg_endo -67.29 156.52 65.87 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.603 2.202 . . . . 0.0 112.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.19 -4.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.569 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' PRO . 16.2 m -50.47 -42.87 54.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.326 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.92 -53.12 28.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.9 mm? -61.61 -9.78 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.486 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 m -99.77 -38.5 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.74 65.84 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.607 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -3.37 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.446 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.4 -3.87 24.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 15.56 1.68 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 163.24 7.54 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -44.67 -54.41 4.15 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.699 2.266 . . . . 0.0 112.259 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 2.5 mm? -56.82 -53.21 60.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.653 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.0 -40.23 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.679 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.72 -44.28 93.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.741 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -48.96 79.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.21 -41.2 97.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.461 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.9 t -63.34 -49.71 72.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.561 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -54.72 -38.91 67.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' LEU . 8.7 mt -59.88 -59.68 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.445 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . 4.4 tt -58.7 -30.72 67.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.763 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 21' ' ' SER . 75.1 t -69.1 -51.89 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.613 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.453 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.52 -52.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.185 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.8 t -57.65 -41.9 82.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.439 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.73 -46.2 90.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.34 -51.3 68.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -56.19 -41.77 76.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.66 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -65.26 -44.97 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.797 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.6 -46.43 93.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.778 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.73 -51.18 70.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.74 -32.57 69.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.825 0.345 . . . . 0.0 110.161 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -52.02 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.864 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -37.21 79.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.454 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -48.04 80.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -56.88 -43.0 80.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -64.53 -41.08 96.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.89 -41.51 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.438 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -62.55 -42.41 99.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.86 -42.88 99.92 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -61.29 -44.21 97.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.504 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -48.08 83.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -48.73 -47.23 41.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 47' ' ' ILE . 1.7 mp -81.31 -28.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -131.66 73.7 78.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.122 0.487 . . . . 0.0 110.624 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.793 2.329 . . . . 0.0 112.285 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.06 0.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.13 61.53 1.87 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.708 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.84 130.52 14.64 Favored 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.687 2.258 . . . . 0.0 112.001 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.31 -9.04 10.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.049 0.452 . . . . 0.0 110.645 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -29.5 69.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.618 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.63 -53.36 58.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.85 -35.34 79.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.448 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.9 m -62.27 -23.74 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.42 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . . . -101.67 -20.27 15.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 13' ' ' LEU . 1.1 t -91.18 -3.6 56.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.741 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 46.2 t0 -66.44 1.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.753 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -116.68 1.84 12.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.601 ' N ' HD12 ' A' ' 13' ' ' LEU . 23.2 t0 -169.0 82.68 0.68 Allowed Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.414 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -81.04 -11.76 12.15 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.956 2.438 . . . . 0.0 112.223 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.41 -29.07 70.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 18' ' ' LEU . 1.7 tp -73.14 -40.0 57.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.417 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -64.78 -34.06 77.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 -179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 m -66.88 -50.98 60.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.317 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.41 -37.58 87.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.634 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -69.06 -45.81 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.647 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt -53.45 -42.21 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.765 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 24' ' ' LEU . 1.3 mp -63.05 -52.35 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 23' ' ' ILE . 6.4 mt -59.63 -34.07 72.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.575 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.19 -53.02 25.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.02 -44.59 78.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -67.75 -52.24 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.218 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -52.0 -35.08 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.45 -54.04 23.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -55.89 -39.55 71.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -57.42 -49.74 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.669 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -40.67 84.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.3 t -62.48 -48.49 88.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.668 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.28 -50.38 68.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.565 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.24 63.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.102 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.9 -47.16 63.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.622 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -41.55 86.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.439 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -45.19 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.504 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -68.44 -43.92 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.498 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.644 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -46.67 87.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -57.58 -41.98 82.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -25.15 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.616 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -70.05 -38.58 75.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.417 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.57 -56.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.388 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -109.27 150.65 41.35 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 C--N 1.311 -1.414 0 C-N-CA 122.898 2.399 . . . . 0.0 112.491 179.619 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.34 25.78 2.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.8 pt-20 -138.86 55.34 7.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.557 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.4 Cg_endo -68.65 130.81 21.45 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.773 2.316 . . . . 0.0 112.159 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.71 -4.85 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.16 -30.06 64.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -49.0 56.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.576 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 1.2 mp -75.36 -45.41 39.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.554 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -57.13 -17.4 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.45 -47.07 7.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 13' ' ' LEU . 10.1 t -61.52 -13.52 21.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -64.65 -0.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.547 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 11' ' ' SER . 2.2 pp -60.42 -27.14 67.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.58 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.28 152.11 45.37 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.06 -42.1 8.63 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.838 2.359 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.3 -47.76 78.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.653 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.65 -41.78 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.54 -41.76 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -46.55 86.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.15 -41.59 97.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.588 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -63.58 -54.52 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.73 -35.48 68.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.61 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 24' ' ' LEU . 4.2 mt -63.23 -60.75 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.578 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' N ' HG22 ' A' ' 23' ' ' ILE . 8.2 mt -59.8 -28.93 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.587 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 21' ' ' SER . 25.4 t -69.5 -50.41 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.05 -37.44 84.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -68.9 -51.89 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.4 m -54.48 -43.3 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.68 -47.96 82.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.63 -46.55 89.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.13 -44.4 71.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.521 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -51.13 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.86 -43.67 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.84 -52.55 63.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.21 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.13 -51.41 31.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.527 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.98 -38.28 87.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -44.94 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.591 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.09 -37.94 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -44.95 80.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -61.21 -40.12 92.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m -68.02 -43.36 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -55.59 -42.77 75.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.597 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.16 -45.6 91.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.582 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -69.83 -21.5 63.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.539 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -75.07 -43.57 52.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.48 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' CD1' ' C ' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -107.08 152.3 41.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 122.865 2.377 . . . . 0.0 112.112 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 tpp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 p -85.95 -3.17 58.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.548 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -135.59 59.3 29.84 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 121.105 0.479 . . . . 0.0 110.724 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.37 131.32 16.19 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.627 2.218 . . . . 0.0 112.119 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -4.24 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.75 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -30.61 59.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.458 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.16 -42.51 63.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.457 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.6 mp -81.72 -51.22 8.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 m -54.85 -9.97 0.41 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.659 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 12' ' ' ASP . . . -98.99 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.828 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -61.3 -4.34 1.18 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.707 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 10' ' ' ALA . 22.4 t70 -60.91 -13.71 17.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.844 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.49 -27.57 49.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.071 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.41 82.53 68.06 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.7 -45.71 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.726 2.284 . . . . 0.0 112.149 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.84 -43.77 77.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 17' ' ' ILE . 4.5 mt -69.64 -39.45 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.14 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.79 -38.32 87.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.728 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -64.88 -48.02 75.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mt -66.33 -38.72 88.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 25' ' ' VAL . 66.4 p -63.41 -50.55 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.258 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -54.16 -38.83 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.743 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.83 -59.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 mt -60.15 -30.65 69.45 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 21' ' ' SER . 83.5 t -67.84 -51.95 44.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mt -61.35 -43.57 98.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.507 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.32 -48.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.306 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 t -57.69 -40.59 79.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.84 -42.03 96.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -46.3 82.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.472 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -38.68 72.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.391 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -52.64 64.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.392 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.86 -47.98 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.41 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.42 -52.32 66.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.793 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -32.54 64.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.063 0.458 . . . . 0.0 110.094 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -53.49 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.4 -34.82 79.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 -47.6 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.8 -37.46 87.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.41 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -63.88 -44.09 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.373 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.21 80.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.248 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 m -63.77 -48.56 76.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.455 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -58.63 -48.03 82.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.4 -50.14 68.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.821 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -61.28 -38.69 87.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 47' ' ' ILE . 82.0 mt -80.21 -10.19 12.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.34 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -140.93 66.6 26.31 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.306 -1.665 0 C-N-CA 122.809 2.34 . . . . 0.0 112.29 -179.847 . . . . . . . . 0 0 . 1 stop_ save_